data_6y95_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 6y95 _Structure_validation_residue.Date_analyzed 2020-04-24 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 ' 7' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--O 1.222 -0.365 0 CA-C-O 121.194 0.521 . . . . 25.0 110.616 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.73 -35.7 67.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.9 -32.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.46 84.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.55 -38.95 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.983 0.356 . . . . 25.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -60.11 -36.54 77.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.855 -0.528 . . . . 50.0 109.867 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -73.74 -44.0 57.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.657 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.48 -42.2 92.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.196 0.453 . . . . 25.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.35 80.22 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 122.249 -0.282 . . . . 25.0 111.094 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -72.68 -46.36 54.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.337 0.589 . . . . 50.0 109.867 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 t -64.42 -21.96 66.81 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.226 -0.443 . . . . 25.0 112.131 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.92 -23.5 65.3 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.46 0.304 . . . . 50.0 111.622 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.51 -2.07 11.57 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -78.22 76.81 4.73 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.292 1.044 . . . . 50.0 108.46 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -67.28 -37.89 84.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.755 -1.112 . . . . 25.0 113.696 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.46 -25.23 39.01 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.594 -0.73 . . . . 50.0 112.06 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.64 15.72 70.14 Favored Glycine 0 CA--C 1.516 0.139 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.656 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -93.89 2.14 56.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.331 0.586 . . . . 25.0 110.067 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.8 28.14 43.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.494 -0.86 . . . . 25.0 111.749 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -130.0 158.93 38.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.594 0.591 . . . . 25.0 112.594 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.6 pt -135.27 169.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 104.797 -2.297 . . . . 50.0 104.797 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 p -85.17 160.59 19.88 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -57.34 -35.59 70.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.786 0.327 . . . . 25.0 111.797 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.98 -22.55 45.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -12.26 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.273 -0.267 . . . . 50.0 110.953 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.75 -41.44 73.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.158 0.504 . . . . 25.0 110.981 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -36.87 92.75 Favored Glycine 0 C--O 1.225 -0.433 0 C-N-CA 120.751 -0.738 . . . . 50.0 111.401 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -37.04 76.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.189 -0.595 . . . . 25.0 111.8 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.86 -45.82 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.513 -0.921 . . . . 50.0 108.513 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 ttm -63.6 -39.77 95.23 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.249 0.547 . . . . 25.0 110.54 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -63.76 -32.09 73.48 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.428 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -69.3 -22.89 63.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 110.21 -0.293 . . . . 25.0 110.21 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -89.35 0.65 56.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 -5.08 67.62 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 116.691 1.436 . . . . 25.0 116.691 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -107.3 137.79 44.71 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.927 1.363 . . . . 25.0 110.146 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.83 105.14 55.98 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-O 121.214 0.53 . . . . 50.0 110.759 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.07 160.35 36.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 CA-C-O 120.99 0.329 . . . . 50.0 112.734 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -75.79 147.38 39.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.69 -30.59 71.61 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.07 -0.394 . . . . 25.0 110.897 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.07 82.23 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -70.33 -37.92 74.77 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.3 -38.42 77.01 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.641 -0.254 . . . . 25.0 111.026 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -59.43 -44.91 92.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.62 -0.264 . . . . 25.0 110.515 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.13 -32.48 63.18 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.677 0.275 . . . . 25.0 111.665 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 mtt -59.23 -35.2 73.23 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.252 0.549 . . . . 50.0 110.782 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.87 -38.09 74.79 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.882 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -63.59 -38.04 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.462 0.649 . . . . 25.0 111.09 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.04 -10.04 55.58 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.84 -42.87 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.164 0.507 . . . . 25.0 111.896 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -134.34 66.9 1.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.129 0.966 . . . . 50.0 110.827 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.92 63.65 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.246 -0.888 . . . . 25.0 113.18 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -88.22 -18.54 28.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.566 0.698 . . . . 50.0 110.904 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.12 32.35 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 114.95 0.74 . . . . 25.0 114.95 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -64.79 -27.82 69.15 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 117.41 0.605 . . . . 25.0 110.536 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.97 52.22 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.3 p -129.82 158.74 38.63 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.862 1.831 . . . . 25.0 113.784 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.5 mt -138.01 128.85 37.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.416 -2.068 . . . . 25.0 105.416 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.5 169.3 12.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.317 1.056 . . . . 50.0 110.901 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.61 -45.69 76.47 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -65.4 -25.69 56.06 Favored 'Trans proline' 0 C--N 1.358 1.054 1 C-N-CA 112.786 -4.343 . . . . 25.0 113.757 177.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.94 -43.0 65.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -55.79 -44.98 78.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 25.0 110.128 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.04 -36.7 77.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.865 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -64.41 -37.62 88.14 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.01 -0.431 . . . . 25.0 109.916 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.5 ttm -60.16 -46.18 90.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 50.0 109.873 178.131 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.12 -43.91 95.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.071 0.463 . . . . 25.0 110.381 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.73 -41.05 84.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -63.43 -31.89 73.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.88 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.07 -47.8 77.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.789 0.722 . . . . 25.0 112.026 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.8 85.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.048 0.451 . . . . 25.0 111.113 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.44 -23.44 60.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -57.24 -29.52 63.85 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.87 -11.4 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -94.57 -25.44 16.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -85.38 89.46 7.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.069 -1.086 . . . . 25.0 108.069 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -74.58 -24.35 58.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -105.69 -8.98 17.56 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.0 31.72 61.57 Favored Glycine 0 C--N 1.331 0.273 0 N-CA-C 109.186 -1.565 . . . . 25.0 109.186 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -91.01 -14.94 30.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.87 -25.48 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.545 -0.722 . . . . 25.0 112.836 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -116.61 139.31 50.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.46 161.66 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 t -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.555 -0.715 . . . . 25.0 109.134 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.88 66.27 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.463 0.649 . . . . 25.0 110.541 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.03 71.69 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.045 0.45 . . . . 25.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -82.08 -37.4 26.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.71 -41.3 97.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.156 -1.053 . . . . 50.0 108.156 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -59.26 -35.26 73.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.446 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -67.13 -43.27 82.83 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.54 -47.6 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.93 68.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.093 0.473 . . . . 50.0 112.142 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.52 -36.94 37.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 25.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -73.17 -35.3 66.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.297 0.57 . . . . 25.0 112.352 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.67 -34.56 77.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.701 -0.681 . . . . 50.0 111.705 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.67 173.85 36.65 Favored Glycine 0 C--O 1.218 -0.887 0 N-CA-C 111.458 -0.657 . . . . 25.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.52 33.85 8.56 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.248 1.023 . . . . 25.0 112.396 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 119.59 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.697 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.09 175.19 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 25.0 109.724 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.0 p -66.53 160.93 24.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.57 -33.7 71.77 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -68.03 -36.41 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.818 0.342 . . . . 25.0 111.352 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.29 -34.18 70.41 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.69 0.757 . . . . 25.0 110.732 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.78 -28.69 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 121.823 -0.548 . . . . 25.0 109.791 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.3 -33.93 71.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.968 0.413 . . . . 50.0 111.563 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -53.55 -40.87 65.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.036 0.446 . . . . 25.0 111.383 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.5 mtm -82.56 -32.83 28.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.666 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.37 -41.39 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -52.89 -42.88 65.72 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -31.84 55.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.659 0.742 . . . . 50.0 112.317 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.97 -18.86 35.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.967 1.84 . . . . 25.0 115.967 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.66 135.14 43.73 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.455 1.279 . . . . 50.0 114.455 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.8 mm -113.73 117.5 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.68 -24.79 67.09 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.087 1.143 . . . . 50.0 114.087 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -74.91 -29.41 60.95 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.053 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.87 -25.52 11.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.37 19.69 79.78 Favored Glycine 0 C--O 1.241 0.543 0 N-CA-C 109.745 -1.342 . . . . 25.0 109.745 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -122.23 162.0 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.575 -0.813 . . . . 50.0 109.969 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.06 144.5 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.72 147.02 51.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -31.87 8.4 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.802 -0.359 . . . . 50.0 111.469 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.37 -49.75 57.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -73.84 -26.33 60.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.983 -1.118 . . . . 25.0 107.983 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.0 -41.47 87.74 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.95 -43.0 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.063 0.458 . . . . 50.0 110.167 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.22 -34.31 74.67 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 120.292 -0.563 . . . . 25.0 110.581 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.4 ttp -63.66 -25.07 68.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.12 0.486 . . . . 50.0 111.632 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.7 mtt -73.69 -17.41 61.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.579 -0.701 . . . . 25.0 112.151 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -176.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 121.326 0.584 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.19 -33.32 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.095 -0.378 . . . . 25.0 110.12 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.74 -33.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.84 81.88 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.017 -0.427 . . . . 25.0 110.372 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.59 -39.85 95.44 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.735 -0.603 . . . . 25.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -65.11 -37.73 88.39 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.297 -0.631 . . . . 50.0 109.297 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.22 -41.32 90.28 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.737 -0.211 . . . . 25.0 111.038 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.09 -41.91 97.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.973 0.416 . . . . 25.0 109.909 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.769 0.319 . . . . 25.0 110.635 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -69.87 -47.92 60.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.421 0.629 . . . . 50.0 109.942 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 t -66.3 -20.2 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -24.07 66.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.798 0.332 . . . . 50.0 111.326 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.5 -5.37 12.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.026 0.75 . . . . 50.0 113.026 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.86 77.73 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.068 -1.086 . . . . 50.0 108.068 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.25 -8.94 26.35 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.383 -0.826 . . . . 25.0 112.431 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -82.63 -28.04 31.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.8 -1.555 . . . . 50.0 106.8 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.8 2.66 69.24 Favored Glycine 0 C--N 1.328 0.095 0 CA-C-N 115.321 -0.854 . . . . 25.0 113.572 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.24 -5.96 58.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.89 35.28 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.5 p -132.33 165.14 24.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.08 164.63 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 104.208 -2.516 . . . . 50.0 104.208 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -89.22 161.2 16.56 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.3 p -59.96 -28.17 67.42 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.144 0.973 . . . . 25.0 109.922 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.61 -23.77 62.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.145 -0.934 . . . . 25.0 111.377 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.04 -3.78 40.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.921 -0.581 . . . . 50.0 112.518 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.31 -41.95 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.681 0.753 . . . . 25.0 109.131 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -30.09 76.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.612 -0.804 . . . . 50.0 112.489 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -33.07 62.37 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.237 -0.566 . . . . 25.0 111.716 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.75 -45.46 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.83 -0.804 . . . . 50.0 108.83 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -39.46 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.289 0.566 . . . . 25.0 110.289 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -64.59 -33.71 76.56 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.004 -0.435 . . . . 25.0 111.083 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -68.68 -30.45 69.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.75 4.73 13.02 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.872 0.469 . . . . 25.0 110.561 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.36 -4.39 62.17 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -136.49 131.25 33.72 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.899 1.35 . . . . 25.0 111.967 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -83.07 133.77 47.54 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 106.896 -1.52 . . . . 50.0 106.896 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.49 168.23 21.67 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 118.041 -0.839 . . . . 50.0 111.465 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.56 146.9 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -29.02 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.83 97.03 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.954 0.406 . . . . 25.0 110.769 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.57 -41.34 93.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.02 -40.67 96.48 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.31 -48.25 82.32 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.522 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -68.02 -35.12 77.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.557 -0.457 . . . . 25.0 111.254 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.17 -29.47 68.35 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 120.846 0.355 . . . . 50.0 111.541 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -79.63 -36.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.12 -39.69 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.12 -0.362 . . . . 25.0 111.711 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -70.71 -21.55 62.55 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.294 -0.879 . . . . 25.0 112.555 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.13 -38.46 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.84 -12.49 61.59 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.073 -0.512 . . . . 50.0 110.309 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.95 79.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.16 -27.54 19.51 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.31 66.29 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 117.331 1.692 . . . . 25.0 117.331 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.87 -29.87 69.89 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.783 1.292 . . . . 25.0 113.744 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.5 -4.1 21.94 Favored Glycine 0 C--O 1.246 0.851 0 C-N-CA 121.215 -0.517 . . . . 25.0 113.989 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 167.7 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.21 -2.144 . . . . 25.0 105.21 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.64 112.88 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.917 -1.882 . . . . 25.0 105.917 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.71 172.0 13.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.52 -1.289 . . . . 50.0 107.52 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.34 -45.75 78.23 Favored Pre-proline 0 C--N 1.315 -0.918 0 C-N-CA 119.754 -0.778 . . . . 25.0 112.901 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -61.77 -31.89 85.87 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 114.323 -3.318 . . . . 25.0 114.464 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.671 -0.643 . . . . 50.0 109.476 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -61.39 -41.41 97.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.11 -36.2 81.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.201 -0.312 . . . . 25.0 110.517 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -64.29 -38.27 90.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.9 ttm -65.2 -25.15 67.58 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.063 -0.398 . . . . 25.0 111.019 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 120.948 -1.095 . . . . 50.0 108.978 176.174 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.85 -34.61 74.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 119.005 0.821 . . . . 25.0 111.828 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.66 -41.22 89.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.901 0.858 . . . . 25.0 108.938 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -83.83 -31.79 25.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -89.46 -37.54 14.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.37 83.58 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -174.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.36 -23.93 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.744 -0.597 . . . . 25.0 112.142 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -68.99 -27.99 66.2 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.33 -17.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.591 -0.443 . . . . 25.0 109.921 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -95.54 -18.23 20.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.062 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -83.48 83.15 7.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 173.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.97 -42.73 49.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -119.52 9.45 11.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -172.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.28 38.26 26.01 Favored Glycine 0 N--CA 1.464 0.528 0 C-N-CA 120.578 -0.82 . . . . 25.0 112.457 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -76.43 -23.88 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.4 -3.58 81.99 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 111.665 -0.574 . . . . 25.0 111.665 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -138.9 159.66 41.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 pt -135.43 161.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 t -67.22 143.26 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.04 -22.83 67.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.793 0.33 . . . . 25.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.42 91.06 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.01 -28.49 57.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.344 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.02 -45.26 94.39 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.413 -1.328 . . . . 50.0 107.413 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -62.97 -36.69 84.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.457 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.67 -46.91 87.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.62 -46.64 95.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.895 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.5 mtt -62.33 -39.31 92.63 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.762 1.023 . . . . 50.0 113.762 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 t -75.81 -17.95 59.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.664 -0.648 . . . . 25.0 110.922 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -81.64 0.46 38.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -93.55 5.98 49.77 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.176 -0.676 . . . . 50.0 109.176 175.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.34 160.18 34.3 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.84 -0.618 . . . . 25.0 114.638 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.18 150.35 47.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -115.87 163.71 15.47 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -71.5 -42.34 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 25.0 110.924 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -121.07 156.64 31.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.005 -0.543 . . . . 25.0 109.74 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -65.08 -30.15 71.08 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.15 -32.76 66.71 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.34 -24.68 67.73 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.926 0.393 . . . . 25.0 111.566 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.13 -43.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.11 -38.27 82.5 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.011 -0.995 . . . . 50.0 111.855 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -65.39 -30.62 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 77.8 mtm -69.93 -31.05 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -78.73 -39.37 22.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.41 -25.52 67.25 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.68 -27.38 63.97 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.649 -0.421 . . . . 50.0 111.832 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.43 145.02 26.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.218 0.532 . . . . 25.0 110.811 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.83 138.78 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.492 -1.67 . . . . 50.0 106.492 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.7 tt -81.48 107.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.141 0.972 . . . . 25.0 111.643 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.03 140.74 58.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.261 -0.881 . . . . 50.0 113.177 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -16.75 79.14 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.637 -0.711 . . . . 25.0 113.341 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -77.25 -12.18 59.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 25.0 111.469 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 4.97 89.46 Favored Glycine 0 C--O 1.237 0.298 0 C-N-CA 120.98 -0.629 . . . . 25.0 112.359 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -121.09 154.6 35.92 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 106.016 -1.846 . . . . 50.0 106.016 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.2 148.94 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.279 0.362 . . . . 25.0 110.091 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -76.35 104.68 6.98 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 122.296 1.046 . . . . 50.0 110.82 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.37 -28.78 64.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.781 1.771 . . . . 50.0 115.781 -171.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.52 -40.96 96.6 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.571 -0.852 . . . . 25.0 111.983 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -74.24 -33.04 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -37.55 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.563 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.32 -42.07 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.351 -0.611 . . . . 50.0 109.351 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.56 -40.0 92.34 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.983 -0.287 . . . . 25.0 110.261 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.4 ttp -63.91 -39.8 95.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.124 0.488 . . . . 50.0 110.699 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 tpp -66.4 -16.62 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.802 0.334 . . . . 25.0 111.239 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.08 -34.88 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.415 0.626 . . . . 25.0 109.836 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.39 -35.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.133 -0.355 . . . . 25.0 110.723 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.02 -42.5 99.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.64 -35.72 79.43 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.23 -0.294 . . . . 50.0 110.565 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.46 -38.38 81.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.463 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.11 86.13 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.982 0.42 . . . . 25.0 110.371 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.33 -45.39 73.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -65.98 -21.62 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -25.86 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 50.0 110.704 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.33 -14.69 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.436 . . . . 50.0 112.044 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -81.56 77.25 8.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.341 -1.355 . . . . 50.0 107.341 173.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -69.35 -16.98 63.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.073 -1.422 . . . . 25.0 112.556 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -97.11 -27.87 14.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.331 0.586 . . . . 50.0 111.2 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.14 64.06 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.36 -0.836 . . . . 25.0 113.574 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.38 0.36 57.44 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.373 0.606 . . . . 25.0 111.423 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 25.52 52.61 Favored Glycine 0 C--O 1.234 0.14 0 CA-C-O 119.732 -0.482 . . . . 25.0 113.563 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.0 p -133.91 158.68 42.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.345 0.573 . . . . 25.0 112.386 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 pt -138.91 167.04 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 p -86.59 160.81 18.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -60.3 -31.1 69.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.593 0.711 . . . . 25.0 110.724 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.189 -0.459 . . . . 25.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HA ' ' HG1' ' A' ' 34' ' ' THR . 1.0 OUTLIER -77.24 -11.48 59.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -178.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.59 -40.38 75.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.58 95.61 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.728 -0.749 . . . . 50.0 111.441 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.525 ' HG1' ' HA ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -67.59 -38.18 83.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.16 -0.612 . . . . 25.0 112.212 -178.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.59 -47.03 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -63.01 -41.39 99.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 25.0 109.907 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.2 -23.88 67.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.948 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -66.0 -23.06 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.342 -0.224 . . . . 25.0 111.017 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.53 13.31 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 25.0 109.804 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 -4.16 86.11 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 114.988 0.755 . . . . 25.0 114.988 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.91 123.04 30.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.28 92.1 16.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 121.272 0.558 . . . . 50.0 109.737 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.35 169.36 20.2 Favored 'Trans proline' 0 C--O 1.237 0.427 0 N-CA-C 109.64 -0.946 . . . . 50.0 109.64 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -67.43 156.07 37.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.7 -25.33 67.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.933 -0.48 . . . . 25.0 110.37 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.89 -47.34 72.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.81 -39.28 93.33 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.67 -44.22 96.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.573 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.53 -42.88 77.84 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 121.111 -0.236 . . . . 25.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 25.0 111.352 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -66.4 -30.98 71.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.024 -0.422 . . . . 50.0 111.281 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.73 -37.02 54.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.17 -34.49 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.724 -0.61 . . . . 25.0 109.829 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.51 -6.02 33.1 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -122.69 -43.06 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.937 0.399 . . . . 25.0 111.681 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.27 55.85 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.465 0.65 . . . . 50.0 112.203 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -30.96 72.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.125 0.488 . . . . 25.0 109.81 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -91.92 -15.72 27.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.806 0.812 . . . . 50.0 110.917 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.53 37.08 41.76 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.207 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -64.18 -29.08 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.06 2.72 90.6 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.571 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -134.0 153.84 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -133.95 126.66 50.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.72 171.55 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.072 0.939 . . . . 50.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -66.91 -43.94 49.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.9 -26.24 59.39 Favored 'Trans proline' 0 C--N 1.357 1.021 1 C-N-CA 112.441 -4.573 . . . . 25.0 113.443 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -71.4 -42.02 68.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.05 -43.78 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 25.0 109.637 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.2 -39.65 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.69 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -64.29 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.748 -0.205 . . . . 25.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.2 mtp -59.74 -43.13 94.38 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.969 -0.457 . . . . 25.0 109.861 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 C--N 1.325 -0.497 0 C-N-CA 120.611 -0.436 . . . . 50.0 110.396 179.23 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 119.849 -0.119 . . . . 25.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.82 -37.54 82.36 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.154 0.502 . . . . 25.0 109.783 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.59 -39.88 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.957 -0.756 . . . . 25.0 108.957 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.77 -34.36 78.0 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.114 -0.366 . . . . 25.0 110.754 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.05 -35.25 73.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.655 0.264 . . . . 25.0 111.208 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.36 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.962 0.411 . . . . 25.0 111.221 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -86.55 -25.12 25.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.755 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -65.71 -15.9 63.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.5 0.555 . . . . 25.0 112.5 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -65.3 -20.48 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -108.17 3.36 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 25.0 111.762 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -78.82 146.18 33.86 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -85.38 -49.98 7.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -133.66 9.01 3.91 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.75 25.78 10.39 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.579 -1.008 . . . . 25.0 110.579 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.79 -8.41 58.74 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -0.72 83.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 117.406 1.722 . . . . 25.0 117.406 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.04 146.07 40.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.984 0.892 . . . . 25.0 112.003 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.99 158.17 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 35.9 t -59.42 140.84 55.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.36 -28.29 69.66 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.442 0.639 . . . . 25.0 110.266 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -69.48 -39.22 77.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -33.45 73.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.618 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.63 -38.66 78.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 50.0 110.69 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -61.48 -33.32 73.57 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 25.0 110.571 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -68.42 -39.66 81.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.7 t -67.18 -44.32 87.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -23.67 67.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.623 1.342 . . . . 50.0 114.623 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.7 t -94.92 0.72 54.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.083 0.401 . . . . 25.0 112.083 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -62.43 -14.75 44.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.6 mt -84.09 -14.78 49.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.03 0.443 . . . . 50.0 110.688 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.48 169.24 11.84 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 108.158 -1.977 . . . . 25.0 108.158 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.2 128.14 34.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -75.08 140.19 43.31 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.6 -43.82 88.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.53 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.0 p -119.01 140.65 49.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.24 -30.9 70.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 174.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -54.24 -35.77 62.84 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.838 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.2 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 25.0 110.557 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.35 -41.67 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.56 -32.9 74.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 50.0 112.643 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -33.77 73.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.064 0.393 . . . . 25.0 110.736 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 69.8 mtm -75.18 -29.53 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.477 -0.764 . . . . 50.0 110.982 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.52 -29.09 18.22 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -58.38 -32.43 68.59 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.295 0.638 . . . . 25.0 112.29 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.52 -42.24 30.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.853 0.359 . . . . 50.0 110.124 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.27 62.98 5.58 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.09 8.03 2.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.34 1.978 . . . . 50.0 116.34 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.7 96.69 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 122.152 0.977 . . . . 25.0 113.303 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.52 5.07 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.472 0.915 . . . . 50.0 113.472 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -36.27 -54.28 1.27 Allowed Glycine 0 N--CA 1.466 0.691 0 N-CA-C 117.997 1.959 . . . . 25.0 117.997 -174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -126.0 17.35 7.89 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.26 10.96 85.8 Favored Glycine 0 C--O 1.244 0.733 0 CA-C-N 115.101 -0.954 . . . . 25.0 114.383 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.09 153.83 33.09 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 117.486 0.643 . . . . 50.0 112.693 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.23 148.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -78.57 110.23 13.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.042 0.925 . . . . 50.0 111.514 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.12 -20.68 64.05 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.582 -0.736 . . . . 50.0 112.422 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.941 -0.475 . . . . 25.0 111.097 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.24 -35.39 76.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.18 -35.08 77.47 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.667 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.56 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.913 -1.143 . . . . 50.0 107.913 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -64.32 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 25.0 111.103 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.34 -39.12 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.504 . . . . 50.0 111.932 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.7 mtt -82.6 -6.99 59.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 175.723 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -73.41 -34.24 65.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.82 -36.31 76.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.52 86.99 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.317 -0.239 . . . . 25.0 111.524 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.78 -39.92 84.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.579 0.704 . . . . 25.0 110.933 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -65.56 -36.73 84.65 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.486 -0.759 . . . . 50.0 109.532 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -75.59 -36.98 60.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.11 -41.05 86.86 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.797 -0.564 . . . . 25.0 109.927 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.08 85.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 25.0 110.361 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -65.68 -50.34 65.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 50.0 109.986 177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -66.13 -19.73 65.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.949 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.43 -35.05 76.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.583 0.706 . . . . 50.0 111.297 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -102.79 -9.6 19.83 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.315 -0.857 . . . . 50.0 112.671 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -82.01 85.77 6.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.483 -1.303 . . . . 50.0 107.483 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -68.73 -30.24 68.83 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 114.504 1.298 . . . . 25.0 114.504 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.3 -25.02 17.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.563 0.697 . . . . 50.0 112.272 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.72 14.83 59.08 Favored Glycine 0 CA--C 1.51 -0.275 0 CA-C-N 115.354 -0.839 . . . . 25.0 113.028 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -73.71 -11.31 60.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.188 0.518 . . . . 25.0 112.373 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.72 21.99 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -135.46 157.21 47.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.661 0.743 . . . . 25.0 112.538 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -134.21 173.19 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 103.354 -2.832 . . . . 50.0 103.354 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 p -99.21 161.5 13.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.786 -1.191 . . . . 25.0 107.786 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -54.84 -44.02 73.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.079 0.466 . . . . 25.0 111.944 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -65.54 -28.87 69.47 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.12 -16.38 53.19 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.728 0.299 . . . . 50.0 111.133 -175.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.57 -37.46 78.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.445 0.64 . . . . 25.0 109.974 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.91 -27.78 70.84 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.544 -0.836 . . . . 50.0 112.064 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -35.75 31.64 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.498 -1.001 . . . . 25.0 111.635 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.4 -46.17 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.694 -0.854 . . . . 50.0 108.694 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.21 -38.56 83.7 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 120.973 0.416 . . . . 25.0 111.043 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.89 -35.09 77.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.798 -0.564 . . . . 25.0 111.051 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -67.5 -27.27 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.359 -0.213 . . . . 25.0 110.958 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.33 -0.11 9.35 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.47 72.54 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 117.995 1.958 . . . . 25.0 117.995 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -142.75 138.77 30.72 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 118.609 1.204 . . . . 25.0 111.002 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -85.39 128.43 59.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 107.566 -1.272 . . . . 50.0 107.566 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.45 173.94 13.07 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 118.166 -0.756 . . . . 50.0 111.602 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.91 138.38 42.34 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.82 -25.58 64.75 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -64.4 0.87 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.925 0.393 . . . . 25.0 111.808 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.2 -28.6 69.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.379 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -36.7 84.9 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.98 -42.2 73.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.1 -33.73 76.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.502 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.7 mtt -59.57 -29.34 67.87 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -75.76 -32.36 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 122.184 -0.322 . . . . 25.0 110.874 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.18 -37.29 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 121.147 0.499 . . . . 25.0 111.171 -176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.83 -27.78 66.92 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -98.58 -29.71 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.497 0.665 . . . . 25.0 110.294 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.2 -21.54 59.63 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.87 -0.519 . . . . 50.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.13 69.85 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.49 -27.11 61.21 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 122.351 1.072 . . . . 50.0 110.48 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.56 88.92 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.918 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -70.6 -26.32 63.45 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.01 12.11 83.55 Favored Glycine 0 CA--C 1.52 0.377 0 O-C-N 121.74 -0.6 . . . . 25.0 112.136 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -133.99 168.85 18.03 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -128.18 113.69 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.3 167.91 19.01 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.812 0.815 . . . . 50.0 109.608 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -60.29 -45.14 97.6 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 114.776 1.399 . . . . 25.0 114.776 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.79 -33.29 76.68 Favored 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 112.888 -4.275 . . . . 25.0 114.835 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -69.96 -34.45 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.718 0.77 . . . . 50.0 109.778 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.84 -38.74 92.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.692 -0.685 . . . . 25.0 109.357 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.52 -32.76 71.79 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.841 -0.537 . . . . 25.0 110.875 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.0 m -61.05 -34.72 75.32 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.7 mtt -60.97 -26.5 67.6 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.44 -0.787 . . . . 25.0 111.215 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.747 -179.152 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 -47.44 86.31 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 118.772 0.715 . . . . 25.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.7 -39.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.227 1.013 . . . . 25.0 109.187 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -63.85 -26.64 68.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.164 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.52 -39.15 67.34 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.122 0.415 . . . . 25.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.16 -27.86 68.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.14 0.495 . . . . 25.0 112.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -91.04 -19.65 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.672 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -62.66 -33.66 75.49 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.216 0.531 . . . . 25.0 111.527 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.47 -16.68 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 116.144 -0.48 . . . . 25.0 112.116 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -98.24 -10.58 23.79 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.722 0.296 . . . . 25.0 110.933 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.1 115.73 20.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.39 -42.15 79.48 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.32 4.08 5.17 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.14 36.24 11.33 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -87.91 -18.59 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.1 -0.99 87.73 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 112.161 -0.376 . . . . 25.0 112.161 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -120.06 141.26 49.92 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.742 0.817 . . . . 25.0 109.972 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -138.87 165.29 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.2 t -71.5 152.45 43.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.17 66.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.5 97.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.516 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -71.39 -36.12 71.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.176 0.513 . . . . 25.0 109.764 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.14 -45.94 89.55 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -60.03 -40.56 89.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.674 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.457 ' CE1' HD22 ' A' ' 111' ' ' ASN . 32.4 t60 -57.42 -52.01 67.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 119.369 -0.348 . . . . 25.0 110.544 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.2 -43.48 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.201 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 29.7 mtt -60.95 -39.18 88.54 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.162 -0.336 . . . . 50.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -67.05 -35.15 79.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.457 HD22 ' CE1' ' A' ' 107' ' ' HIS . 85.1 m-20 -69.87 -24.33 63.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.819 0.342 . . . . 25.0 111.829 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.5 -14.85 22.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 50.0 112.136 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.47 144.4 25.58 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 120.913 -0.661 . . . . 25.0 111.635 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -130.92 -32.04 1.67 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -129.16 176.7 7.7 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -174.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -162.62 0.22 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.146 1.378 . . . . 25.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 t -101.59 152.56 20.66 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.805 0.442 . . . . 25.0 110.687 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.75 -23.35 67.15 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.287 0.565 . . . . 50.0 111.538 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -68.44 -24.45 64.73 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.752 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.64 -35.45 75.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.8 -39.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -66.04 -32.33 73.74 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 112.481 0.548 . . . . 50.0 112.481 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -66.5 -34.71 78.53 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.946 -0.471 . . . . 25.0 110.073 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 75.8 mtm -66.42 -34.76 78.67 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 120.963 -1.086 . . . . 50.0 109.764 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.22 -32.1 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -68.49 -37.87 80.49 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.997 0.519 . . . . 25.0 111.873 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.23 -21.99 61.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.607 0.718 . . . . 50.0 111.483 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.98 138.71 32.98 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.94 134.4 52.9 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.985 -1.117 . . . . 50.0 107.985 174.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.5 mt -119.47 128.16 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 105.276 -2.12 . . . . 25.0 105.276 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -71.16 161.83 30.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.181 -0.303 . . . . 50.0 110.181 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.82 -23.4 61.14 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 114.614 0.605 . . . . 25.0 114.614 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -83.55 6.31 20.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 25.0 111.764 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 31.69 58.8 Favored Glycine 0 C--O 1.24 0.495 0 C-N-CA 121.489 -0.386 . . . . 25.0 112.224 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -120.15 156.92 30.11 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.77 156.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -94.01 106.62 18.59 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.276 -0.639 . . . . 50.0 109.276 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -71.33 -21.05 62.1 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.947 -0.471 . . . . 50.0 111.748 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.53 -37.99 76.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.44 0.638 . . . . 25.0 110.031 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.48 94.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.557 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.07 -43.53 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.75 -0.463 . . . . 50.0 109.75 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -40.4 95.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.098 0.475 . . . . 25.0 110.326 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 tpp -57.83 -30.64 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.825 0.676 . . . . 50.0 112.825 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 mtt -70.76 -11.55 61.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -179.375 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.2 -22.12 49.05 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 119.654 -0.818 . . . . 25.0 110.032 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -71.13 -38.48 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.4 87.8 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -60.39 -43.15 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.437 0.637 . . . . 25.0 109.707 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.92 -38.74 89.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -63.81 -40.73 97.34 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.747 -0.595 . . . . 25.0 111.089 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.78 -35.0 79.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 25.0 110.466 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -70.21 -46.55 64.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.653 0.739 . . . . 50.0 109.622 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 t -68.84 -19.65 64.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -25.38 67.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.371 . . . . 50.0 111.201 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -112.96 -8.11 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.994 -0.548 . . . . 50.0 111.732 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.44 80.3 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.814 1.292 . . . . 50.0 107.874 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -71.18 -16.54 62.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.172 -1.376 . . . . 25.0 112.683 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.92 -28.19 13.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 50.0 111.695 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.1 59.89 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-N 115.252 -0.885 . . . . 25.0 114.594 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.25 -12.28 59.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.64 21.47 50.79 Favored Glycine 0 C--O 1.243 0.677 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.13 167.01 21.75 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.073 0.549 . . . . 25.0 109.706 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -135.46 164.52 32.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 104.88 -2.267 . . . . 50.0 104.88 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -79.45 158.38 27.31 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 p -55.92 -35.32 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 25.0 112.183 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.54 -25.56 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.72 -9.95 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.089 0.471 . . . . 50.0 111.957 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.72 -38.74 70.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.412 0.625 . . . . 25.0 110.746 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.2 -26.41 74.15 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.752 -0.737 . . . . 50.0 112.998 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -40.1 19.66 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.256 -0.556 . . . . 25.0 111.211 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.59 -46.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.762 0.315 . . . . 50.0 110.761 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.6 mtt -64.72 -36.8 85.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.587 -0.696 . . . . 25.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -60.9 -35.63 77.17 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 t -68.98 -21.78 64.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -86.39 5.85 32.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.401 0.619 . . . . 25.0 109.852 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.92 66.17 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -145.02 123.17 12.15 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 118.841 1.32 . . . . 25.0 110.872 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -87.82 150.44 48.04 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.293 -1.003 . . . . 50.0 108.293 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.17 167.3 26.2 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 117.601 -1.133 . . . . 50.0 109.567 175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -72.35 160.8 31.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.731 -1.951 . . . . 25.0 105.731 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -62.01 -32.62 73.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.17 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.411 0.148 . . . . 25.0 110.896 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.11 -46.09 92.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.117 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.22 -42.65 93.23 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.933 -0.307 . . . . 25.0 111.142 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.85 -43.24 96.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.801 0.334 . . . . 25.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.43 -30.77 71.6 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.249 0.547 . . . . 50.0 111.73 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.0 mt -69.36 -39.52 78.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.69 -33.14 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.335 -0.228 . . . . 25.0 110.855 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -55.44 -38.99 69.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.076 0.398 . . . . 25.0 111.336 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -93.73 -37.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -65.67 -14.57 61.5 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.679 -0.638 . . . . 50.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.66 96.72 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.699 -0.228 . . . . 25.0 111.157 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.68 -24.27 17.93 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.026 -1.101 . . . . 50.0 108.026 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.2 22.18 38.97 Favored Glycine 0 N--CA 1.454 -0.159 0 N-CA-C 115.801 1.08 . . . . 25.0 115.801 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.5 -29.6 69.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.588 1.194 . . . . 25.0 111.697 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.12 26.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 114.827 0.691 . . . . 25.0 114.827 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p -129.09 150.04 50.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.086 0.554 . . . . 25.0 109.951 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.17 124.52 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.05 170.97 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.331 1.062 . . . . 50.0 110.154 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -64.53 -45.87 77.04 Favored Pre-proline 0 CA--C 1.545 0.771 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.78 -23.42 48.28 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 112.85 -4.3 . . . . 25.0 114.123 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.93 -39.84 72.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.404 -0.961 . . . . 50.0 108.404 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.8 -43.23 80.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.29 -33.18 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.161 -0.337 . . . . 25.0 111.253 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 m -65.94 -38.3 88.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.133 -0.354 . . . . 25.0 110.988 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 mmt . . . . . 0 N--CA 1.468 0.461 0 O-C-N 121.361 -0.837 . . . . 50.0 109.186 175.617 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--O 1.216 -0.676 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.41 -43.0 88.44 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.845 0.748 . . . . 25.0 110.017 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.5 -41.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.741 0.781 . . . . 25.0 108.953 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.79 -44.65 92.72 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.452 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.11 -43.46 95.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.594 0.634 . . . . 25.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.39 -36.44 71.28 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.262 -0.426 . . . . 25.0 112.073 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -86.47 -38.67 17.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.04 -11.22 60.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.11 -18.33 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -107.13 9.26 30.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.931 0.492 . . . . 25.0 111.544 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.17 104.62 3.13 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.452 0.644 . . . . 25.0 110.141 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.36 -49.75 71.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 115.589 1.7 . . . . 25.0 115.589 -172.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -119.55 8.24 11.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.218 0.532 . . . . 25.0 110.584 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.06 20.42 79.69 Favored Glycine 0 C--O 1.236 0.227 0 N-CA-C 109.996 -1.242 . . . . 25.0 109.996 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -109.88 12.57 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.31 8.69 70.98 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 120.834 -0.698 . . . . 25.0 114.434 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -116.91 141.72 47.87 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.473 0.636 . . . . 25.0 111.515 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 pt -126.79 163.43 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -74.35 148.8 40.97 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.82 66.24 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.338 0.59 . . . . 25.0 110.575 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.36 74.14 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.952 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.86 -29.33 63.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.104 0.478 . . . . 25.0 111.613 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.26 -37.43 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.99 -0.55 . . . . 50.0 110.286 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.08 -26.31 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -68.97 -37.94 79.09 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 118.318 -1.353 . . . . 25.0 107.871 178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -59.81 -47.39 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -172.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.54 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.941 1.089 . . . . 50.0 113.941 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -82.4 -13.09 57.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.462 0.541 . . . . 25.0 112.462 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -93.04 -25.86 17.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.776 0.322 . . . . 25.0 111.28 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.93 -2.73 27.22 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.856 0.687 . . . . 50.0 112.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.22 160.31 32.46 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 119.859 -1.162 . . . . 25.0 114.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.09 47.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.32 134.49 38.5 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 106.316 -1.735 . . . . 25.0 106.316 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.66 -19.41 13.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 117.387 2.365 . . . . 25.0 117.387 -172.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -122.56 141.94 51.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.623 0.647 . . . . 25.0 110.602 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -64.46 -36.81 85.4 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.605 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.17 -27.43 68.4 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.98 -33.1 59.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.674 0.75 . . . . 25.0 109.184 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.14 -35.3 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.407 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.23 -42.42 81.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.678 -0.692 . . . . 50.0 112.29 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.34 -28.69 69.47 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.6 ttm -73.08 -41.99 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.699 0.761 . . . . 50.0 109.763 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.55 -42.1 94.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.74 -26.61 35.2 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.16 -26.16 61.09 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.568 0.951 . . . . 50.0 113.568 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.92 15.35 2.67 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.788 2.514 . . . . 25.0 117.788 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.3 142.44 27.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.771 1.169 . . . . 50.0 112.839 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.5 mt -130.9 115.62 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.43 -1.29 45.16 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -48.71 -42.43 28.28 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.09 9.63 7.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.759 0.79 . . . . 25.0 109.5 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.66 15.93 73.74 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.219 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -117.92 152.23 35.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.613 0.365 . . . . 50.0 110.27 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.9 143.84 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -87.21 114.64 23.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -70.39 -17.32 63.03 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.193 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.29 -44.57 88.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.16 -23.94 47.47 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.592 -0.693 . . . . 25.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -34.01 69.21 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.63 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -59.43 -40.09 85.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.7 ttm -64.97 -43.98 90.87 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.057 0.456 . . . . 50.0 110.882 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 61.2 mtt -72.02 -12.5 61.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.238 0.484 0 CA-C-O 121.117 0.484 . . . . 25.0 110.253 179.442 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.843 0.354 . . . . 25.0 110.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -69.76 -34.61 74.02 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.874 -0.516 . . . . 25.0 109.864 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -65.57 -38.19 81.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.8 96.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.093 -0.336 . . . . 25.0 110.093 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.59 -40.85 98.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.957 0.408 . . . . 25.0 110.294 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.73 -34.13 76.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.516 -0.55 . . . . 50.0 109.516 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.78 -35.72 62.54 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.551 -0.46 . . . . 25.0 112.148 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.54 75.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.923 0.392 . . . . 25.0 111.36 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.72 -45.76 42.05 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.402 0.62 . . . . 50.0 110.148 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -68.5 -14.88 63.31 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.173 0.589 . . . . 25.0 112.092 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.08 -25.03 65.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.406 0.622 . . . . 50.0 109.577 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.4 -26.2 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.02 -0.991 . . . . 50.0 113.088 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.41 85.97 4.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.661 0.743 . . . . 50.0 109.128 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.04 -5.18 34.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.86 -25.69 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.221 0.534 . . . . 50.0 109.9 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.9 21.19 37.03 Favored Glycine 0 N--CA 1.453 -0.186 0 CA-C-N 115.879 -0.6 . . . . 25.0 114.36 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -91.35 -9.88 43.27 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.412 0.606 . . . . 25.0 112.314 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.5 10.5 79.56 Favored Glycine 0 C--O 1.241 0.573 0 C-N-CA 121.241 -0.504 . . . . 25.0 113.63 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -124.27 165.47 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -137.58 165.52 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.22 -2.511 . . . . 50.0 104.22 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.2 p -83.98 160.36 21.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -58.77 -31.44 68.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.77 0.795 . . . . 25.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.58 -37.53 86.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.827 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -73.87 -8.69 57.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.516 0.561 . . . . 50.0 112.516 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.59 -37.58 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 25.0 110.588 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.29 97.83 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 120.535 -0.841 . . . . 50.0 111.826 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -41.62 58.66 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.686 -0.303 . . . . 25.0 111.708 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.98 -44.62 88.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 N-CA-C 110.553 -0.166 . . . . 50.0 110.553 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.65 -35.33 77.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.041 -1.037 . . . . 25.0 109.345 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -67.63 -27.69 67.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.5 p -73.07 -15.87 61.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.794 0.725 . . . . 25.0 111.591 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.21 -7.16 50.24 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.229 0.538 . . . . 25.0 109.963 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.18 -5.02 78.18 Favored Glycine 0 C--O 1.229 -0.181 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.233 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -139.3 123.13 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -94.98 144.94 28.65 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.52 172.22 16.62 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 117.496 -1.203 . . . . 50.0 109.741 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.05 146.63 54.13 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.32 -25.82 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.51 57.46 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.75 -27.82 65.26 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.34 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.3 -41.03 98.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -71.12 -38.96 72.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -58.29 -44.54 88.54 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.771 0.319 . . . . 25.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtt -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.825 0.345 . . . . 50.0 111.891 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.25 -41.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.84 -35.86 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 110.239 -0.282 . . . . 25.0 110.239 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.94 -33.42 73.15 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 122.327 -0.233 . . . . 25.0 111.103 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -89.29 -31.66 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.059 0.457 . . . . 25.0 111.501 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.93 -10.09 8.66 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.069 -0.394 . . . . 50.0 111.451 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.64 73.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.407 0.283 . . . . 25.0 110.698 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.36 -26.88 24.59 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.96 0.886 . . . . 50.0 109.676 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.74 9.24 87.25 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.2 -0.909 . . . . 25.0 114.94 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.74 -28.26 67.49 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.55 7.43 87.15 Favored Glycine 0 C--O 1.243 0.672 0 C-N-CA 121.522 -0.37 . . . . 25.0 113.464 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.1 p -129.22 162.42 27.88 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.1 mt -132.55 121.29 44.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 102.922 -2.992 . . . . 25.0 102.922 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.03 177.95 5.91 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.83 -43.82 99.52 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 115.246 1.573 . . . . 25.0 115.246 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 -30.28 28.62 Favored 'Trans proline' 0 C--N 1.357 1.001 1 C-N-CA 113.146 -4.102 . . . . 25.0 115.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.42 -36.56 79.26 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.602 1.092 . . . . 50.0 108.77 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.88 -41.09 95.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.05 -35.4 71.92 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 122.259 -0.276 . . . . 25.0 111.674 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.3 m -59.33 -36.59 75.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.449 0.642 . . . . 25.0 109.944 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.82 -12.39 53.87 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 C--O 1.218 -0.6 0 O-C-N 121.419 -0.801 . . . . 50.0 109.448 176.664 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.76 -41.9 91.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -66.31 -39.49 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.13 -45.79 90.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.151 -0.932 . . . . 25.0 111.02 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.71 -44.03 91.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.642 0.656 . . . . 25.0 110.444 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.6 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 25.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -18.76 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -69.86 -15.06 63.02 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.075 -1.016 . . . . 25.0 110.993 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -25.25 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.919 0.39 . . . . 25.0 109.976 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -105.53 6.2 32.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.3 129.69 40.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.94 -44.32 69.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -128.82 -1.89 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.0 6.41 75.61 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.94 7.91 36.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.972 0.386 . . . . 25.0 111.772 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.12 25.0 46.17 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 120.918 -0.658 . . . . 25.0 114.687 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -128.42 143.99 51.07 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 117.235 0.517 . . . . 25.0 110.035 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.8 pt -138.46 163.12 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 31.1 t -79.12 150.58 31.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.94 65.96 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.268 0.556 . . . . 25.0 110.175 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.48 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -64.43 -38.28 90.49 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.186 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -35.07 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.29 -40.82 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -59.7 -36.72 77.08 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.53 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -65.22 -44.39 88.43 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.691 -0.404 . . . . 25.0 110.678 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.36 -44.59 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -62.0 -41.69 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.563 0.949 . . . . 50.0 113.563 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -74.24 -14.93 60.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.434 -0.791 . . . . 25.0 110.915 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.97 -4.49 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.218 -0.301 . . . . 25.0 111.57 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.73 -28.43 68.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.048 0.451 . . . . 50.0 111.435 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.16 159.07 32.15 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.633 -0.987 . . . . 25.0 110.633 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.61 140.57 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 63.95 30.68 14.13 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 139.5 54.92 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.263 -1.755 . . . . 25.0 106.263 173.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -84.52 149.1 26.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.512 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 -39.6 91.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.44 -38.8 85.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 25.0 111.46 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.8 -38.09 88.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.532 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.36 -42.1 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.019 -0.537 . . . . 25.0 109.74 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.002 0.742 . . . . 50.0 113.002 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.6 -21.21 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 78.9 mtm -76.44 -40.11 51.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.402 0.62 . . . . 50.0 109.788 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.73 -35.0 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.95 -22.03 34.77 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.97 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 50.0 111.987 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.44 156.65 20.74 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.563 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.64 74.72 2.02 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.575 0.702 . . . . 50.0 111.546 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.09 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.822 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.92 -2.28 11.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.866 1.432 . . . . 50.0 114.866 -174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.33 -59.9 4.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.07 -1.062 . . . . 25.0 112.565 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.03 -2.33 7.08 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.68 -2.36 79.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 108.478 -1.849 . . . . 25.0 108.478 -171.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.96 157.3 26.99 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.217 -1.401 . . . . 50.0 107.217 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.61 158.81 43.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -79.1 152.31 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.443 -2.058 . . . . 50.0 105.443 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -37.04 7.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.515 1.302 . . . . 50.0 114.515 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.13 -34.86 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.99 -33.42 51.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.02 -43.84 91.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.986 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.3 -33.28 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.579 -0.701 . . . . 50.0 109.521 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -70.47 -38.17 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.32 -0.238 . . . . 25.0 110.692 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.69 -41.42 98.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.983 0.421 . . . . 50.0 110.739 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.9 mtm -72.8 -13.15 61.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.73 0.3 . . . . 25.0 111.316 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 124.651 1.18 . . . . 25.0 111.052 -178.551 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.701 0.286 . . . . 25.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -72.56 -38.45 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.09 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.48 98.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.711 -0.222 . . . . 25.0 111.379 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.46 -42.34 99.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.258 0.551 . . . . 25.0 110.653 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.93 -37.55 86.34 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.921 -0.487 . . . . 50.0 110.089 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.02 -40.69 82.89 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 119.348 -0.358 . . . . 25.0 110.597 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -62.56 -44.37 96.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.492 0.587 . . . . 25.0 111.308 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.59 82.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.123 0.487 . . . . 25.0 110.748 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.49 -45.05 66.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.224 0.535 . . . . 50.0 110.342 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -66.5 -22.91 66.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -24.67 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.05 0.452 . . . . 50.0 110.599 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -120.66 2.74 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.383 0.883 . . . . 50.0 113.383 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -81.0 76.91 7.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 104.739 -2.319 . . . . 50.0 104.739 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -79.04 -16.5 56.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.757 -1.111 . . . . 25.0 113.611 -172.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -94.32 -28.03 15.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.218 0.532 . . . . 50.0 110.7 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.5 7.24 61.98 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.996 -0.547 . . . . 25.0 113.318 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.9 -3.43 51.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.836 0.351 . . . . 25.0 111.94 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.15 53.81 Favored Glycine 0 C--O 1.242 0.619 0 N-CA-C 110.603 -0.999 . . . . 25.0 110.603 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.8 p -133.28 162.83 30.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.086 0.47 . . . . 25.0 110.315 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 pt -133.22 166.62 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 104.346 -2.465 . . . . 50.0 104.346 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.597 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 45.1 p -96.69 166.01 11.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.0 p -58.93 -25.77 63.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.709 . . . . 25.0 111.16 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -79.58 -34.2 41.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.597 ' H ' ' HG1' ' A' ' 28' ' ' THR . 75.9 mm-40 -77.44 -18.51 57.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.808 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.2 -39.91 70.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.16 0.505 . . . . 25.0 110.217 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.87 -36.85 93.83 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.72 -0.752 . . . . 50.0 112.091 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -38.46 65.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.35 -0.5 . . . . 25.0 111.538 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.18 -49.33 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.122 -0.696 . . . . 50.0 109.122 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -45.5 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 25.0 110.366 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -62.12 -36.64 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 m -70.33 -30.68 67.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.686 0.279 . . . . 25.0 110.679 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.56 -3.58 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 111.03 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 -0.36 89.31 Favored Glycine 0 C--O 1.227 -0.339 0 C-N-CA 121.519 -0.372 . . . . 25.0 112.806 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -85.03 125.69 32.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -107.16 91.93 7.26 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.915 -0.584 . . . . 50.0 110.106 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.91 152.78 58.06 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 115.192 -2.739 . . . . 50.0 109.805 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.6 p -71.34 163.19 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.27 -36.84 78.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.868 0.366 . . . . 25.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.52 78.11 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.13 -43.58 98.52 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.04 -41.26 91.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.29 -50.35 63.98 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.314 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.79 -35.28 77.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.416 0.525 . . . . 25.0 112.416 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.71 -29.78 70.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 50.0 110.203 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.1 mt -83.91 -32.9 8.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.099 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.95 -36.55 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.757 0.708 . . . . 25.0 110.114 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.5 -34.24 72.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.548 . . . . 25.0 111.159 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -86.3 -34.34 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.518 0.675 . . . . 25.0 110.547 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -64.69 -19.36 65.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.211 -0.45 . . . . 50.0 110.248 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.46 77.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.499 -0.319 . . . . 25.0 111.239 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.81 -26.95 16.01 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.03 0.919 . . . . 50.0 109.285 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.24 6.04 89.41 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.158 -0.928 . . . . 25.0 114.796 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -71.21 -28.91 64.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.686 0.743 . . . . 25.0 111.426 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.14 78.12 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.2 p -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.504 0.652 . . . . 25.0 110.414 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.5 mt -134.13 121.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.793 -1.558 . . . . 25.0 106.793 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 166.61 20.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.208 0.528 . . . . 50.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -58.1 -45.93 99.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.15 -29.8 47.22 Favored 'Trans proline' 0 C--N 1.356 0.954 1 C-N-CA 112.879 -4.28 . . . . 25.0 114.428 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.05 -32.26 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.815 -0.553 . . . . 50.0 109.572 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -64.22 -43.61 94.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 m -63.35 -41.14 98.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.705 0.288 . . . . 25.0 110.541 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.9 tpp -61.88 -40.54 95.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.949 -0.469 . . . . 25.0 110.322 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtm . . . . . 0 C--O 1.222 -0.39 0 C-N-CA 120.603 -0.439 . . . . 50.0 110.343 177.408 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.216 -0.679 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.91 -45.27 86.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.659 0.742 . . . . 25.0 110.638 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.03 -42.4 59.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.551 . . . . 25.0 109.936 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -69.04 -26.52 65.02 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.041 -0.664 . . . . 25.0 111.253 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.94 -45.83 93.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.967 -0.458 . . . . 25.0 111.28 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.85 -13.81 58.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.813 1.412 . . . . 25.0 114.813 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -61.84 -23.22 66.12 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.8 -15.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -105.3 -7.34 18.95 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.686 0.394 . . . . 25.0 111.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -67.86 129.17 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -66.14 -50.11 65.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -129.65 3.84 5.02 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.56 39.66 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.362 -0.695 . . . . 25.0 111.362 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -110.31 2.7 19.31 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.19 -0.45 89.37 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.74 -0.743 . . . . 25.0 112.719 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -109.94 133.21 53.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.099 0.476 . . . . 25.0 110.564 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -137.26 165.33 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 43.6 t -72.02 149.85 44.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.7 -29.34 68.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.293 0.568 . . . . 25.0 109.943 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -65.45 -38.61 90.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.369 177.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.25 -35.49 71.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.353 0.596 . . . . 25.0 109.661 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.14 -44.78 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.468 -0.938 . . . . 50.0 108.468 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -68.37 -27.3 66.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.889 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -61.77 -47.53 84.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -43.34 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.27 -46.07 89.51 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 111.894 0.331 . . . . 50.0 111.894 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.9 m -65.61 -36.65 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.909 0.385 . . . . 25.0 110.739 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.17 -30.73 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.35 -4.68 38.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 50.0 111.656 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.92 94.45 0.1 Allowed Glycine 0 C--O 1.229 -0.214 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.872 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.43 148.0 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.345 0.593 . . . . 25.0 110.341 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -131.91 151.45 51.7 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.16 -47.23 80.67 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.244 -0.182 . . . . 25.0 110.788 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.5 p -123.26 149.36 44.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.28 -29.54 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.643 0.735 . . . . 50.0 109.028 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -56.97 -36.41 70.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.543 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.17 -17.05 61.41 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.658 -0.651 . . . . 25.0 111.823 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.8 t -91.0 -35.74 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.8 -37.36 78.92 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.48 -0.782 . . . . 50.0 111.212 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 tpp -74.5 -39.31 62.49 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.028 0.918 . . . . 50.0 110.179 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.15 -34.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.974 -1.012 . . . . 25.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.86 -30.58 65.92 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.143 1.164 . . . . 25.0 114.143 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.67 -29.25 64.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.298 0.57 . . . . 50.0 111.703 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.72 153.57 30.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.528 0.68 . . . . 25.0 111.721 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.06 142.85 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.78 161.95 40.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.19 157.85 33.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.363 0.601 . . . . 50.0 110.241 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.94 -16.17 56.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -106.64 13.55 28.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.049 0.925 . . . . 25.0 111.479 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.59 34.58 19.05 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 115.603 1.001 . . . . 25.0 115.603 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.15 161.42 17.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.93 0.365 . . . . 50.0 110.687 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.09 154.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -89.47 100.03 12.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.114 -1.81 . . . . 50.0 106.114 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -60.31 -25.57 65.87 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.856 1.058 . . . . 50.0 113.856 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.76 -39.78 92.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.907 0.384 . . . . 25.0 111.837 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -78.16 -27.52 48.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -33.39 68.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.782 -0.574 . . . . 25.0 109.674 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -43.26 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 107.578 -1.267 . . . . 50.0 107.578 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.87 -42.69 99.35 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.361 . . . . 50.0 111.664 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -75.01 -25.31 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 -175.471 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.224 -0.272 0 CA-C-O 121.284 0.564 . . . . 25.0 109.526 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.259 -0.428 . . . . 25.0 109.94 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.31 -39.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.6 98.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.244 -0.285 . . . . 25.0 111.029 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -43.71 98.13 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.107 -0.371 . . . . 25.0 110.551 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.64 -36.9 85.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -64.41 -40.11 95.13 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.525 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.28 -45.73 91.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.696 0.68 . . . . 25.0 109.866 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.83 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.758 0.314 . . . . 25.0 111.646 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.07 -44.39 69.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.047 0.451 . . . . 50.0 110.662 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.8 t -64.19 -22.98 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.665 0.386 . . . . 25.0 111.981 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -25.76 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.878 0.37 . . . . 50.0 110.53 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.43 -1.93 12.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.23 70.31 5.59 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.506 -1.294 . . . . 50.0 107.506 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -73.33 -26.25 60.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.388 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -79.13 -28.22 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.024 0.379 . . . . 50.0 112.024 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.09 -3.23 69.74 Favored Glycine 0 N--CA 1.46 0.278 0 N-CA-C 116.576 1.39 . . . . 25.0 116.576 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -91.33 5.78 47.93 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 117.493 0.647 . . . . 25.0 110.958 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 28.04 40.83 Favored Glycine 0 CA--C 1.511 -0.195 0 C-N-CA 120.331 -0.938 . . . . 25.0 111.362 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -129.72 152.73 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 pt -131.66 175.36 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 106.52 -1.659 . . . . 50.0 106.52 174.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -102.27 160.65 14.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 p -56.53 -37.4 70.42 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.52 -27.83 69.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.669 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -87.72 -8.98 55.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.797 0.295 . . . . 50.0 111.797 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.81 -39.59 77.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.65 96.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 50.0 111.523 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -40.4 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.463 -0.433 . . . . 25.0 111.429 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.36 -45.27 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.12 -42.28 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.994 -0.441 . . . . 25.0 110.301 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -68.31 -22.16 64.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -74.79 -21.33 59.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 mt -82.02 -0.02 42.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -4.79 85.69 Favored Glycine 0 C--O 1.229 -0.2 0 CA-C-N 116.225 -0.443 . . . . 25.0 114.114 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -103.73 134.18 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -87.96 130.61 45.87 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 105.714 -1.958 . . . . 50.0 105.714 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.35 152.48 55.22 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 114.929 -2.914 . . . . 50.0 109.959 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.7 144.06 31.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.67 -36.16 80.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.39 -54.22 26.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.067 0.46 . . . . 25.0 110.763 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.44 -34.13 77.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.583 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 25.0 109.802 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.4 -42.12 75.51 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.18 -46.17 83.06 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.396 0.617 . . . . 25.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.97 -32.74 74.38 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.556 0.576 . . . . 50.0 112.556 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -77.88 -36.87 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.1 -36.44 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 25.0 111.451 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 -38.01 13.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.511 0.672 . . . . 25.0 110.581 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -68.02 -14.71 63.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.481 . . . . 50.0 110.46 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.62 81.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.417 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -92.1 -24.58 19.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.161 -1.051 . . . . 50.0 108.161 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.85 6.07 82.99 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 118.078 1.991 . . . . 25.0 118.078 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.2 -28.99 66.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.825 1.312 . . . . 25.0 112.227 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.31 13.9 68.23 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.083 -0.579 . . . . 25.0 114.172 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.1 p -124.74 158.23 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.29 122.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.866 -1.901 . . . . 25.0 105.866 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.09 171.53 11.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.733 0.778 . . . . 50.0 109.015 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.59 -46.53 76.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -66.24 -24.81 50.55 Favored 'Trans proline' 0 C--N 1.357 0.981 1 C-N-CA 112.844 -4.304 . . . . 25.0 113.686 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.47 -39.13 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.146 -0.687 . . . . 50.0 109.146 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.16 -40.22 95.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.929 -0.482 . . . . 25.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 m -65.09 -37.91 89.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.349 0.595 . . . . 25.0 110.322 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.4 ttm -62.83 -41.46 99.34 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.2 mmt . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 50.0 110.902 178.412 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -62.58 -40.34 96.57 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.01 -40.89 88.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -66.21 -32.54 74.03 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.834 -0.346 . . . . 25.0 111.34 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.68 -42.88 93.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.371 . . . . 25.0 110.458 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.48 83.78 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.347 0.594 . . . . 25.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -84.38 -10.18 57.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.53 -32.02 69.93 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -173.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.31 -16.75 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.34 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 94' ' ' LYS . 90.9 m-85 -97.06 -34.94 10.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -85.8 49.72 1.83 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 105.659 -1.978 . . . . 25.0 105.659 172.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 92' ' ' PHE . 4.5 tttt -49.6 -43.14 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 113.553 -1.658 . . . . 25.0 113.623 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 6.97 47.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.189 -0.459 . . . . 25.0 112.035 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.74 34.65 89.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.404 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -16.16 24.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 -173.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.94 88.33 Favored Glycine 0 N--CA 1.46 0.298 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -135.97 137.75 41.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 103.883 -2.636 . . . . 25.0 103.883 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.45 158.86 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -67.98 149.3 49.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.09 67.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.193 0.521 . . . . 25.0 111.19 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.54 93.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.959 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.57 -39.05 81.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.125 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -66.1 -40.11 90.5 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.096 -0.642 . . . . 50.0 109.425 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -62.31 -37.46 85.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -61.41 -45.26 95.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.426 -0.213 . . . . 25.0 110.426 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.7 -45.15 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 121.089 0.471 . . . . 25.0 109.769 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.9 mtt -63.49 -36.15 82.81 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.4 t -87.02 -8.89 56.71 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.136 0.421 . . . . 25.0 112.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -69.67 -27.33 64.94 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.36 -12.28 59.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.83 . . . . 50.0 111.059 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 170.94 12.43 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 109.626 -1.39 . . . . 25.0 109.626 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.24 162.26 29.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -123.69 164.78 18.43 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -64.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -174.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.0 p -119.07 157.31 28.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.662 0.267 . . . . 25.0 110.318 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -76.08 -30.08 58.18 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.625 -0.509 . . . . 50.0 109.625 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.39 -25.2 67.46 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.22 -35.76 78.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.954 0.883 . . . . 25.0 108.631 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.61 -47.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.638 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -56.9 -38.64 73.1 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.018 1.118 . . . . 50.0 114.018 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -37.3 76.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.909 0.777 . . . . 25.0 111.235 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.4 mtm -72.6 -37.56 68.07 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.722 -0.611 . . . . 50.0 110.961 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.6 mm -70.46 -26.58 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.67 -18.25 63.77 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.24 -31.34 68.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.723 0.773 . . . . 50.0 109.934 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.25 167.34 15.74 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.378 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -81.47 72.39 8.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.977 1.103 . . . . 50.0 113.977 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.78 -42.04 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -83.08 -8.39 59.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.67 0.989 . . . . 50.0 113.67 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.8 -63.05 1.22 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 119.879 -1.153 . . . . 25.0 113.847 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -125.87 -10.24 6.64 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.509 0.671 . . . . 25.0 111.211 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.58 24.53 65.0 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.776 -0.725 . . . . 25.0 112.452 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.54 167.98 10.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.136 0.493 . . . . 50.0 111.181 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.73 144.97 35.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -84.19 94.96 8.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.107 -1.442 . . . . 50.0 107.107 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.31 -34.86 77.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.301 -0.863 . . . . 50.0 112.788 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.14 -37.97 70.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -88.91 -36.52 15.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.754 0.788 . . . . 25.0 110.151 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -33.26 70.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.4 0.518 . . . . 25.0 112.4 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.7 -39.05 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.14 0.422 . . . . 50.0 112.14 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -81.09 -27.62 35.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.634 0.652 . . . . 25.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.0 ttp -68.31 -37.96 81.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.781 0.324 . . . . 50.0 110.879 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.1 mtt -63.08 -23.08 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.917 -0.129 . . . . 25.0 110.913 -178.495 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 120.791 0.329 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -70.65 -30.55 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.081 -0.387 . . . . 25.0 110.701 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.37 -36.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.39 90.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.192 -0.318 . . . . 25.0 110.591 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.42 -42.25 96.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.175 0.512 . . . . 25.0 109.923 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -63.28 -39.02 93.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.836 -0.801 . . . . 50.0 108.836 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.02 -36.84 75.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -41.03 96.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.936 0.789 . . . . 25.0 109.447 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.176 0.513 . . . . 25.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -69.25 -45.89 68.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.421 0.629 . . . . 50.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -70.75 -20.71 62.6 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.245 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -22.62 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.48 -1.67 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -71.61 125.65 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.188 -2.523 . . . . 50.0 104.188 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -97.95 -16.78 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.7 -27.93 4.99 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.926 0.713 . . . . 50.0 112.926 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.97 9.9 44.25 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -75.62 -9.53 58.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.14 27.87 32.48 Favored Glycine 0 C--O 1.237 0.334 0 N-CA-C 110.869 -0.892 . . . . 25.0 110.869 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.3 p -133.8 159.26 41.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 pt -138.37 167.02 22.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.569 -2.012 . . . . 50.0 105.569 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.4 p -89.89 162.85 15.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -59.16 -36.16 74.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.234 0.54 . . . . 25.0 111.866 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -68.48 -27.9 66.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.966 -0.458 . . . . 25.0 111.303 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -17.42 59.03 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.206 -0.309 . . . . 50.0 110.726 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -36.09 72.49 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 110.534 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.29 -37.79 93.59 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.581 -0.819 . . . . 50.0 111.634 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.88 66.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.279 -0.542 . . . . 25.0 111.299 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.46 -47.81 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.59 -0.522 . . . . 50.0 109.59 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.71 -38.01 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.374 0.607 . . . . 25.0 110.094 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -65.79 -34.17 77.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.558 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -66.73 -32.23 73.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.969 0.35 . . . . 25.0 110.102 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.96 2.02 18.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.323 0.582 . . . . 25.0 110.428 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.11 -4.88 86.02 Favored Glycine 0 C--O 1.234 0.148 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.43 135.01 37.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.5 0.667 . . . . 25.0 110.431 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.62 91.96 48.6 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 107.945 -1.132 . . . . 50.0 107.945 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.37 164.32 35.48 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 118.412 -0.592 . . . . 50.0 111.268 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -73.67 162.28 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.84 -36.67 79.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.121 -0.362 . . . . 25.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.64 71.83 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.813 0.339 . . . . 25.0 110.722 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.26 -34.86 78.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.335 0.588 . . . . 25.0 110.374 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.87 -42.09 97.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.33 -40.87 85.95 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.442 -0.344 . . . . 25.0 111.15 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -60.87 -41.61 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.987 0.358 . . . . 25.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.6 mtm -65.79 -32.94 74.76 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.12 0.486 . . . . 50.0 110.882 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.65 -37.74 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.282 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.13 -40.0 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.61 -9.15 59.27 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 52.8 t -110.37 -42.9 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -89.55 43.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.848 0.832 . . . . 50.0 110.8 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.51 -23.35 67.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.617 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -82.54 -17.21 45.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.396 0.617 . . . . 50.0 111.17 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.72 18.12 73.75 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 115.309 0.883 . . . . 25.0 115.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -73.33 -23.54 60.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 117.235 0.517 . . . . 25.0 111.654 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.71 22.87 59.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 25.0 111.413 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.7 p -129.57 155.72 45.34 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.677 0.391 . . . . 25.0 111.974 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -136.89 125.95 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.57 165.61 13.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.869 0.842 . . . . 50.0 109.815 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -61.12 -43.51 90.83 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 115.993 1.849 . . . . 25.0 115.993 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.54 -29.48 44.35 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 112.933 -4.245 . . . . 25.0 114.864 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.54 -36.61 68.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.798 0.808 . . . . 50.0 108.919 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.07 -41.62 98.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.54 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.15 -35.95 80.79 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 122.012 -0.43 . . . . 25.0 111.428 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -60.46 -37.9 82.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.8 tpp -58.85 -44.74 91.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 25.0 110.454 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.549 0.69 . . . . 50.0 110.857 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 116.433 2.012 . . . . 25.0 116.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.38 -45.64 92.25 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.702 -0.799 . . . . 25.0 109.124 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.0 mt -64.92 -38.74 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -63.17 -44.31 95.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.964 -1.017 . . . . 25.0 113.242 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.98 -28.71 20.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 115.32 1.6 . . . . 25.0 115.32 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.08 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -78.62 -15.52 58.43 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.572 -0.705 . . . . 25.0 112.869 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.553 ' HD3' ' HH ' ' A' ' 138' ' ' TYR . 26.9 mmt180 -70.49 -29.9 66.56 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.768 -0.583 . . . . 25.0 112.341 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.65 -9.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -109.52 6.64 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.853 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -76.23 100.24 5.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.9 0.857 . . . . 25.0 109.446 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -63.58 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -119.15 -4.71 10.51 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.56 25.78 73.3 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.047 -1.221 . . . . 25.0 110.047 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -123.35 8.41 9.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.73 3.44 90.34 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.72 134.74 54.85 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.441 1.121 . . . . 25.0 112.821 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.71 165.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.587 -1.634 . . . . 25.0 106.587 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -79.09 156.91 28.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.42 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.517 0.675 . . . . 25.0 110.812 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.5 87.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.153 0.501 . . . . 25.0 110.507 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.78 -37.88 64.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.17 -47.63 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.979 -0.378 . . . . 50.0 109.979 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -37.02 76.08 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 121.004 -0.278 . . . . 25.0 110.457 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -60.32 -46.39 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.793 -0.363 . . . . 25.0 110.953 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.57 -44.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -41.07 86.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.259 0.466 . . . . 50.0 112.259 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.2 p -75.94 -8.28 56.56 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.04 -29.13 13.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 25.0 110.107 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.6 tp -94.61 -33.17 13.1 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.384 1.253 . . . . 50.0 114.384 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.95 141.38 23.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.741 1.056 . . . . 25.0 115.741 -175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.33 -3.4 57.45 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.047 0.451 . . . . 25.0 111.898 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.34 119.78 10.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.04 -8.09 58.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.993 1.108 . . . . 25.0 113.993 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -118.98 136.04 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.325 -0.25 . . . . 25.0 110.325 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.55 -41.21 97.04 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -59.72 -36.1 75.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -71.02 -22.35 62.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.717 -0.614 . . . . 25.0 111.424 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -84.07 -44.39 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.666 -1.605 . . . . 25.0 106.666 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.7 -34.42 77.82 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.714 -1.13 . . . . 50.0 111.97 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -50.6 -49.34 56.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.122 0.487 . . . . 25.0 111.358 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.3 ttp -65.08 -41.18 95.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.601 0.715 . . . . 50.0 111.169 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.55 -39.62 78.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.133 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -62.76 -24.9 67.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.33 -32.29 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.242 0.46 . . . . 50.0 112.242 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.64 -40.37 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 105.34 11.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.087 0.946 . . . . 50.0 112.47 -173.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 pt -75.62 114.56 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.132 -0.94 . . . . 25.0 113.436 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.63 -18.06 50.99 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.699 -0.682 . . . . 50.0 112.025 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.9 85.02 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.216 -0.516 . . . . 25.0 112.858 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 -27.61 7.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.816 0.341 . . . . 25.0 110.919 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.19 -5.95 24.22 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 116.598 -0.274 . . . . 25.0 113.333 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.95 149.73 40.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.561 0.745 . . . . 50.0 109.884 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.05 150.53 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 25.0 111.488 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.08 100.04 12.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.403 -1.702 . . . . 50.0 106.403 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.553 ' HH ' ' HD3' ' A' ' 90' ' ' ARG . 13.6 p90 -62.92 -15.53 55.79 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.565 0.58 . . . . 50.0 112.565 -175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.14 -34.98 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.977 -0.452 . . . . 25.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -73.56 -28.39 61.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -35.42 74.74 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.32 -34.43 77.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 25.0 111.102 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.7 tpp -66.97 -33.47 75.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.878 0.371 . . . . 50.0 111.37 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.5 -16.89 60.83 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.163 -0.336 . . . . 25.0 110.866 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.403 0.62 . . . . 25.0 109.735 179.403 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 . . . . . 0 C--O 1.223 -0.333 0 CA-C-O 120.958 0.408 . . . . 25.0 110.747 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -66.83 -38.06 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.6 mt -66.72 -38.09 80.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.82 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.384 -0.371 . . . . 25.0 110.029 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.06 -41.52 96.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.385 0.612 . . . . 25.0 110.084 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -65.54 -34.71 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.87 -0.519 . . . . 50.0 110.623 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -66.14 -39.5 89.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.494 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -67.16 -39.17 86.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -31.84 73.17 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.939 0.399 . . . . 25.0 111.315 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -71.59 -44.79 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -65.87 -14.34 61.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.64 -25.13 66.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.458 . . . . 50.0 111.407 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -110.54 -2.53 16.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.141 0.793 . . . . 50.0 113.141 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -78.88 102.77 8.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.35 1.071 . . . . 50.0 109.145 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -69.8 -24.66 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.54 -1.209 . . . . 25.0 113.771 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.34 -27.07 9.24 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.974 1.101 . . . . 50.0 113.974 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.66 59.2 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.58 0.992 . . . . 25.0 115.58 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.68 -4.71 58.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.568 0.684 . . . . 25.0 112.18 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 27.96 12.14 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 112.01 -0.436 . . . . 25.0 112.01 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -132.68 157.06 45.81 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.4 pt -136.01 167.91 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.069 -1.826 . . . . 50.0 106.069 176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 p -84.35 166.32 17.5 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -56.56 -38.81 72.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 25.0 110.717 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -63.52 -37.11 86.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 25.0 111.755 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -12.85 61.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -39.01 70.62 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.152 0.501 . . . . 25.0 110.844 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.77 95.07 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 120.611 -0.804 . . . . 50.0 111.995 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -39.96 70.11 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.65 -0.324 . . . . 25.0 111.831 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.84 -45.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.06 -0.348 . . . . 50.0 110.06 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ttt -60.26 -39.05 85.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -67.23 -32.32 73.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -73.85 -23.17 59.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.709 0.686 . . . . 25.0 109.793 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.36 -7.51 55.14 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.84 -4.92 36.52 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 117.021 1.569 . . . . 25.0 117.021 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -144.97 123.77 12.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.978 1.389 . . . . 25.0 111.924 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -106.42 145.49 31.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 121.894 -0.504 . . . . 50.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.07 171.64 14.95 Favored 'Trans proline' 0 C--O 1.24 0.607 0 N-CA-C 110.236 -0.717 . . . . 50.0 110.236 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -70.86 149.3 46.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.078 -2.193 . . . . 25.0 105.078 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.76 -28.06 68.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.53 95.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.94 0.4 . . . . 25.0 110.625 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -77.34 -26.97 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.061 0.457 . . . . 25.0 110.012 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.07 -43.42 95.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.47 -37.29 82.69 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.82 -44.68 90.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.012 0.434 . . . . 25.0 111.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.9 mtm -68.49 -35.54 77.66 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.434 0.635 . . . . 50.0 111.185 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.11 -34.24 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.156 -0.474 . . . . 25.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.61 -34.52 51.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.201 -0.312 . . . . 25.0 111.178 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.66 -39.16 90.38 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.753 0.706 . . . . 25.0 110.814 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -81.4 -37.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.456 0.646 . . . . 25.0 111.249 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -72.39 -18.42 61.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.097 -0.377 . . . . 50.0 110.49 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.42 79.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.71 -25.5 49.42 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.81 -1.181 . . . . 50.0 107.81 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.38 71.49 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.426 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -68.91 -33.94 74.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.02 -9.89 3.58 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 116.568 1.387 . . . . 25.0 116.568 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -132.23 163.96 27.44 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.332 1.066 . . . . 25.0 110.926 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -135.06 124.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 164.5 20.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.344 0.592 . . . . 50.0 109.752 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.28 -47.01 99.59 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.69 -33.81 85.2 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 114.213 -3.392 . . . . 25.0 114.571 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -72.7 -32.67 65.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.969 -0.457 . . . . 50.0 110.452 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.65 -43.14 99.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.18 -39.35 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.468 . . . . 25.0 110.183 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.4 m -60.9 -40.1 91.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.768 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtt -58.8 -35.01 72.14 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.2 mmt . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.103 0.477 . . . . 50.0 109.758 -178.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 . . . . . 0 C--O 1.224 -0.25 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -36.21 74.95 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.649 0.659 . . . . 25.0 109.592 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.9 mt -84.34 -39.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.527 0.68 . . . . 25.0 109.309 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -71.72 -12.5 61.35 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 114.041 1.126 . . . . 25.0 114.041 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.57 -40.9 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.92 67.12 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -95.93 -32.04 12.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 25.0 110.256 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.73 -35.81 79.14 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.115 0.566 . . . . 25.0 111.327 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.71 -18.52 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 120.772 0.32 . . . . 25.0 111.447 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -106.25 5.98 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.979 -0.451 . . . . 25.0 111.015 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -82.43 88.03 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.03 -44.6 4.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 116.747 2.129 . . . . 25.0 116.747 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.05 8.31 10.4 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.48 56.64 Favored Glycine 0 N--CA 1.463 0.463 0 C-N-CA 120.744 -0.741 . . . . 25.0 112.196 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -77.25 -28.83 53.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.23 -9.09 76.49 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 122.225 0.903 . . . . 25.0 111.142 -173.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -138.9 143.67 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 pt -137.49 166.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -67.39 151.8 46.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.009 -0.676 . . . . 25.0 110.063 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.423 0.63 . . . . 25.0 110.618 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.05 73.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.383 0.611 . . . . 25.0 110.101 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.54 -44.07 83.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.17 -39.24 92.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.11 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -65.5 -29.37 70.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.789 -0.569 . . . . 25.0 110.428 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -69.3 -37.98 78.07 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.768 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.99 -38.96 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.2 tpp -56.95 -46.71 81.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 p -72.65 -18.6 61.55 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -73.66 -29.02 62.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.73 -32.44 21.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 50.0 111.634 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.83 -172.44 36.38 Favored Glycine 0 C--O 1.224 -0.493 0 C-N-CA 120.629 -0.796 . . . . 25.0 114.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -109.46 159.93 16.63 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -123.91 165.59 17.12 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.82 -49.05 76.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.1 t -123.65 149.3 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.387 -0.227 . . . . 25.0 110.387 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.06 -22.07 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.013 -0.366 . . . . 50.0 110.013 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -56.29 -36.8 69.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.993 0.425 . . . . 25.0 111.3 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.605 0.716 . . . . 25.0 110.492 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -73.39 -38.74 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -46.4 86.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.79 -36.87 76.07 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.927 -0.709 . . . . 25.0 111.264 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.1 ttp -67.38 -38.79 85.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.633 0.254 . . . . 50.0 111.029 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.43 -42.5 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.04 -37.51 77.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.18 -30.18 69.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.99 0.424 . . . . 50.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.99 1.12 56.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.82 1.415 . . . . 25.0 114.82 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.93 116.71 9.71 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 85.9 mt -123.27 -52.32 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.67 139.18 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.344 0.593 . . . . 50.0 111.697 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.06 -17.28 63.23 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.727 -0.669 . . . . 25.0 113.678 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.31 8.08 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.082 0.468 . . . . 25.0 110.514 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.67 39.06 14.92 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.922 -0.656 . . . . 25.0 113.25 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -117.94 151.39 37.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.357 0.598 . . . . 50.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.53 146.91 33.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.96 100.05 10.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -63.87 -21.13 66.31 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.87 -0.605 . . . . 50.0 111.929 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.68 -44.52 90.24 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.061 0.393 . . . . 25.0 112.061 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -87.83 -23.64 23.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.73 -43.23 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.89 -38.67 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.236 -0.653 . . . . 50.0 109.236 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.08 -34.68 76.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.997 -0.439 . . . . 25.0 110.725 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.5 tpp -62.49 -33.66 75.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.253 0.549 . . . . 50.0 110.983 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.6 mtt -71.91 -9.68 58.69 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.786 -0.571 . . . . 25.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.54 -30.17 59.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.066 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.66 -34.69 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.37 87.39 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.15 -0.344 . . . . 25.0 110.367 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.21 -42.46 98.64 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -65.0 -40.36 94.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.855 -0.424 . . . . 50.0 109.855 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -62.3 -47.22 85.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.7 -35.48 78.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.109 -0.636 . . . . 25.0 110.59 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.53 77.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.043 0.449 . . . . 25.0 110.368 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -70.14 -46.66 64.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.392 0.615 . . . . 50.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -68.7 -14.9 63.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.06 -32.12 71.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -104.25 -26.24 12.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.777 -0.647 . . . . 50.0 112.322 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -78.21 89.67 4.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 50.0 108.451 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -98.05 -2.7 39.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.488 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.27 -27.9 12.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.11 0.481 . . . . 50.0 110.302 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.27 17.25 34.9 Favored Glycine 0 C--O 1.23 -0.129 0 CA-C-N 115.999 -0.546 . . . . 25.0 114.399 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -77.16 -13.86 59.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 16.57 68.4 Favored Glycine 0 C--O 1.239 0.431 0 C-N-CA 121.265 -0.493 . . . . 25.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -132.16 163.62 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.19 0.519 . . . . 25.0 111.779 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -135.65 170.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 103.669 -2.715 . . . . 50.0 103.669 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -87.4 161.9 17.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 p -60.05 -29.27 68.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.783 0.802 . . . . 25.0 110.662 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -83.12 -19.77 36.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.476 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.34 -9.5 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.55 -42.09 77.94 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.91 -38.88 96.06 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.705 -0.679 . . . . 50.0 112.056 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -40.53 80.29 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.179 -0.6 . . . . 25.0 111.707 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.83 -45.91 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.0 ttm -60.91 -39.98 91.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.037 0.446 . . . . 25.0 111.076 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.39 -22.8 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -74.56 -23.55 58.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.86 6.21 36.61 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.593 0.711 . . . . 25.0 109.097 175.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -4.98 83.44 Favored Glycine 0 N--CA 1.454 -0.117 0 N-CA-C 116.198 1.239 . . . . 25.0 116.198 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.49 123.09 36.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.569 1.185 . . . . 25.0 108.717 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.99 103.64 50.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 107.367 -1.346 . . . . 50.0 107.367 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.14 162.95 31.13 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 116.982 -1.545 . . . . 50.0 111.142 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 145.91 51.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 173.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.58 -22.06 66.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -50.88 62.4 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.18 -40.0 94.57 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.47 -42.91 99.5 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.061 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.07 -43.23 83.15 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.959 -0.296 . . . . 25.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -59.33 -42.57 91.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.947 0.403 . . . . 25.0 110.149 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtt -65.91 -31.96 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.173 -0.33 . . . . 50.0 111.688 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.86 -40.65 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.13 -40.9 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.279 0.49 . . . . 25.0 111.533 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -57.37 -35.8 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.46 . . . . 25.0 112.243 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.1 t -95.56 -32.25 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.156 0.503 . . . . 25.0 112.012 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.92 -13.84 62.67 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.463 -0.773 . . . . 50.0 108.969 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.41 78.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.475 0.31 . . . . 25.0 110.828 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.89 -25.25 61.0 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.712 1.244 . . . . 50.0 108.575 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.21 5.99 88.42 Favored Glycine 0 C--N 1.322 -0.244 0 CA-C-N 114.092 -1.413 . . . . 25.0 115.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.29 -28.82 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.01 0.905 . . . . 25.0 109.859 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.04 25.61 69.6 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.41 0.924 . . . . 25.0 115.41 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -127.92 152.25 48.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.37 0.585 . . . . 25.0 110.593 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.2 mt -131.62 125.46 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 163.77 21.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.151 0.5 . . . . 50.0 110.36 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.68 -44.89 99.55 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.34 -33.49 47.73 Favored 'Trans proline' 0 C--N 1.356 0.924 1 C-N-CA 112.104 -4.798 . . . . 25.0 114.264 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.61 -25.53 59.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.945 -0.472 . . . . 50.0 111.569 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -55.2 -40.74 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.04 -37.98 45.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.015 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -59.55 -42.33 92.14 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 25.0 111.075 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -60.81 -22.74 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 mmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 121.808 -0.558 . . . . 50.0 111.295 -179.328 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.08 -54.8 41.65 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.55 -43.33 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.955 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.56 -33.05 70.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.255 -0.978 . . . . 25.0 112.606 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.89 -41.59 78.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -36.26 69.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.03 0.443 . . . . 25.0 110.74 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -79.27 -21.21 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -69.51 -14.92 63.12 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.36 -18.89 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 119.685 -0.806 . . . . 25.0 109.612 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -98.08 -32.73 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.53 67.6 7.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.832 0.825 . . . . 25.0 109.345 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.14 70.26 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.218 -0.901 . . . . 25.0 113.426 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -95.09 -7.94 38.02 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.653 0.612 . . . . 25.0 112.653 -175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.65 26.52 67.24 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.893 -0.67 . . . . 25.0 113.858 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.04 -9.49 39.54 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.33 9.78 85.49 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.8 -0.714 . . . . 25.0 112.716 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -121.37 138.77 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.902 0.481 . . . . 25.0 110.434 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.2 pt -137.66 164.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.046 -1.835 . . . . 25.0 106.046 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -70.37 150.3 46.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -31.96 69.46 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.9 73.2 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.011 0.434 . . . . 25.0 111.373 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.06 -33.58 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.4 -42.9 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.12 -39.71 83.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -61.38 -45.66 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 119.735 -0.174 . . . . 25.0 110.962 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.84 -46.34 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.49 -44.61 95.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 t -76.1 -8.78 57.78 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -91.07 -25.77 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.91 0.386 . . . . 25.0 110.025 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.22 -15.67 28.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.41 0.522 . . . . 50.0 112.41 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.11 162.35 14.19 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 111.835 -0.506 . . . . 25.0 111.835 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -120.82 145.84 47.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 tttt 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.53 145.04 56.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -93.95 157.93 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.45 -38.47 89.89 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.444 -0.502 . . . . 50.0 110.942 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.13 -35.2 79.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 25.0 111.19 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.75 -37.93 85.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.4 -36.38 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.34 -45.32 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.404 0.621 . . . . 50.0 110.586 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.26 -38.23 76.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.302 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 tpt -68.99 -42.59 76.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.264 0.554 . . . . 50.0 111.078 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -73.53 -40.29 55.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -60.54 -21.07 62.12 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.9 -23.52 66.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.777 0.322 . . . . 50.0 111.814 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -127.63 16.97 6.96 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.32 135.93 46.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.958 -0.756 . . . . 50.0 108.958 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.0 mt -90.6 -24.12 5.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.843 -0.617 . . . . 25.0 109.795 -176.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.32 20.78 4.88 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.91 0.884 . . . . 50.0 113.229 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -59.97 1.37 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 120.506 -0.854 . . . . 25.0 112.766 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -122.46 11.72 9.99 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.598 0.713 . . . . 25.0 109.656 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.38 19.67 77.74 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.02 154.61 31.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.024 0.53 . . . . 50.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.17 155.96 38.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.65 99.79 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.917 -1.142 . . . . 50.0 107.917 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -72.08 -24.92 61.58 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.704 1.002 . . . . 50.0 113.704 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -35.24 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.32 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.79 -26.78 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.999 0.428 . . . . 25.0 109.943 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.23 -38.14 84.74 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.08 -43.76 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 50.0 108.185 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -62.83 -39.36 94.07 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.966 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.02 -43.1 99.56 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.608 0.363 . . . . 50.0 111.127 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.8 mtm -78.07 -9.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.513 -0.312 . . . . 25.0 111.619 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.475 0.808 0 C-N-CA 124.856 1.263 . . . . 25.0 109.906 -176.832 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 121.673 0.749 . . . . 25.0 109.437 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -74.3 -31.16 62.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 25.0 109.749 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.77 -34.62 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.42 92.96 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.016 -0.427 . . . . 25.0 109.867 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -64.87 -37.82 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.929 -0.482 . . . . 25.0 109.949 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -65.56 -31.87 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.028 -0.42 . . . . 50.0 110.365 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.96 -40.92 83.11 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.118 -0.364 . . . . 25.0 110.049 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -66.77 -36.13 81.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.97 86.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.877 -0.515 . . . . 25.0 110.149 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -69.52 -45.07 69.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.389 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -67.54 -23.32 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.59 -23.89 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.192 -0.317 . . . . 50.0 111.143 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -106.46 -16.24 14.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.885 0.328 . . . . 50.0 111.885 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -82.15 58.95 4.21 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.11 -1.441 . . . . 50.0 107.11 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.344 -1.298 . . . . 25.0 112.022 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -77.85 -27.94 49.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 50.0 112.294 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.17 18.02 41.08 Favored Glycine 0 CA--C 1.517 0.169 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 25.0 110.943 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.7 18.92 62.71 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 111.09 -0.804 . . . . 25.0 111.09 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -136.17 164.64 27.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.072 0.463 . . . . 25.0 111.627 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -134.38 165.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 103.897 -2.631 . . . . 50.0 103.897 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -85.08 162.6 19.23 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.329 -0.857 . . . . 25.0 108.731 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.4 -22.53 61.54 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.524 0.565 . . . . 25.0 112.524 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -87.86 -29.8 20.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.092 -0.38 . . . . 25.0 111.092 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.68 -13.11 60.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.056 0.455 . . . . 50.0 111.098 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.54 -41.6 66.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 25.0 110.069 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.27 -40.08 97.61 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.697 -0.763 . . . . 50.0 112.18 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.429 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -69.58 -40.11 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.516 -0.402 . . . . 25.0 111.383 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mtp -64.22 -38.39 90.88 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.459 -0.776 . . . . 25.0 111.09 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -72.7 -12.53 61.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 t -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.12 4.04 43.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.046 0.451 . . . . 25.0 109.949 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.55 88.66 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.46 -0.4 . . . . 25.0 113.684 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -85.0 127.62 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.6 0.7 . . . . 25.0 110.246 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -88.04 108.41 21.24 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.73 152.73 47.93 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 114.505 -3.197 . . . . 50.0 110.233 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.99 139.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.919 -1.882 . . . . 25.0 105.919 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.53 -27.35 66.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.772 -0.58 . . . . 25.0 111.692 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.06 92.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.65 -42.56 91.28 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.833 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -41.78 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.245 -0.182 . . . . 25.0 110.677 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.25 -51.87 66.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -71.49 -32.03 67.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.7 mtt -62.34 -36.73 83.1 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.641 -0.503 . . . . 50.0 109.641 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -43.21 93.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.23 -38.92 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 122.181 -0.325 . . . . 25.0 111.646 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.74 -34.32 76.97 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.029 -0.419 . . . . 25.0 111.351 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.7 t -84.78 -38.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.364 0.602 . . . . 25.0 111.315 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -66.57 -7.87 23.1 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.936 -0.477 . . . . 50.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.46 80.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.294 0.238 . . . . 25.0 110.452 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -87.22 -27.03 23.22 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.285 -1.006 . . . . 50.0 108.285 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 8.2 84.6 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 114.855 -1.066 . . . . 25.0 114.58 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -68.56 -28.86 67.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 117.578 0.689 . . . . 25.0 111.899 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 2.41 68.81 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 p -126.05 163.86 22.13 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.7 mt -127.97 113.49 31.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 105.234 -2.135 . . . . 25.0 105.234 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.71 172.22 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.566 -1.272 . . . . 50.0 107.566 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.04 -45.76 91.52 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.46 -24.18 42.9 Favored 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 112.733 -4.378 . . . . 25.0 113.95 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.21 -36.94 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.819 -0.808 . . . . 50.0 108.819 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.24 -44.47 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.58 -37.02 85.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.215 -0.303 . . . . 25.0 110.862 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -63.61 -40.28 96.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.5 tpp -66.0 -36.31 82.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.206 -0.309 . . . . 25.0 111.227 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt . . . . . 0 N--CA 1.467 0.404 0 O-C-N 121.667 -0.646 . . . . 50.0 109.358 176.746 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -59.08 -39.46 82.23 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.743 0.702 . . . . 25.0 111.77 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.38 -40.42 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.758 0.789 . . . . 25.0 109.555 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -73.16 -31.45 64.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.05 -36.65 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.79 64.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.354 0.501 . . . . 25.0 112.354 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -95.85 -27.63 15.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.24 0.459 . . . . 25.0 112.24 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -61.57 -31.97 72.04 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.69 -9.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -110.16 3.75 20.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.438 0.295 . . . . 25.0 111.506 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.6 121.21 11.03 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.997 0.427 . . . . 25.0 111.7 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -37.63 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 115.796 1.776 . . . . 25.0 115.796 -173.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.95 4.71 5.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.482 0.658 . . . . 25.0 110.8 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.3 24.83 74.53 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.567 -1.813 . . . . 25.0 108.567 -174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -115.47 12.79 16.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -173.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.39 13.29 63.76 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.65 140.17 53.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 pt -139.45 161.53 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 t -71.7 153.32 42.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.533 -0.73 . . . . 25.0 109.838 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.74 68.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.357 0.599 . . . . 25.0 109.711 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.01 78.23 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.318 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.79 -34.75 72.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.31 -49.87 76.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.534 -0.543 . . . . 50.0 109.534 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -65.68 -31.72 72.88 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.682 -0.407 . . . . 25.0 110.854 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -61.73 -45.32 94.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.163 -0.215 . . . . 25.0 110.575 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.04 -45.5 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.45 -42.22 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 50.0 113.645 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 t -76.81 -15.26 59.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.629 -0.669 . . . . 25.0 111.882 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.52 -25.01 59.06 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.268 -0.27 . . . . 25.0 110.953 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.84 51.99 1.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.075 0.94 . . . . 50.0 110.378 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.31 174.52 35.5 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.482 -1.047 . . . . 25.0 110.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -150.94 168.32 24.87 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 63.94 -27.08 0.08 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 118.046 2.61 . . . . 25.0 118.046 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.3 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 25.0 111.499 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -112.75 160.96 17.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.52 -48.52 80.57 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -60.3 -34.14 73.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.318 0.58 . . . . 25.0 112.276 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.66 -35.38 79.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.822 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.42 -36.01 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.71 77.63 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 -176.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -55.9 -38.33 70.07 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.556 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -29.2 37.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.077 0.465 . . . . 50.0 111.045 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.1 -38.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -61.21 -16.88 49.74 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -97.89 -31.39 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.502 0.556 . . . . 50.0 112.502 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.93 2.88 35.75 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 117.603 2.446 . . . . 25.0 117.603 -173.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.79 161.89 13.37 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.186 0.81 . . . . 50.0 113.186 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 pt -125.27 124.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 25.0 108.976 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -61.53 -24.06 66.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.29 73.34 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.218 -0.515 . . . . 25.0 113.704 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.45 -25.4 5.6 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.44 21.6 78.6 Favored Glycine 0 C--O 1.246 0.848 0 N-CA-C 109.478 -1.449 . . . . 25.0 109.478 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -117.99 158.18 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.552 -0.824 . . . . 50.0 112.092 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.8 m -116.81 156.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -85.32 138.59 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 103.257 -2.868 . . . . 50.0 103.257 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -99.89 -5.69 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.321 -0.952 . . . . 50.0 112.641 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.64 -46.53 78.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.395 -0.595 . . . . 25.0 109.395 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -69.19 -30.77 69.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.16 0.505 . . . . 25.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.38 -38.09 81.02 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.774 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.83 -42.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.312 -0.996 . . . . 50.0 108.312 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -60.57 -42.74 97.27 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.991 -0.284 . . . . 25.0 110.493 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 36.8 tpp -60.09 -31.19 69.8 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.189 -0.319 . . . . 50.0 111.763 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.33 -6.3 50.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.245 0.833 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -177.699 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 25.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -69.39 -18.5 63.78 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.657 -0.417 . . . . 25.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -67.11 -34.14 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.93 80.83 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.51 -37.87 88.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.318 0.58 . . . . 25.0 110.2 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.9 -34.02 77.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -68.89 -42.12 77.36 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.38 -37.96 88.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.336 -0.546 . . . . 25.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.126 0.489 . . . . 25.0 110.534 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.02 -46.21 58.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.179 0.514 . . . . 50.0 109.795 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -67.6 -16.84 64.38 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.95 -29.19 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.827 0.822 . . . . 50.0 108.836 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -106.72 -4.19 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.629 0.974 . . . . 50.0 113.629 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -101.78 104.2 14.97 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -97.88 -4.39 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.902 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -108.3 -28.0 9.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.605 0.595 . . . . 50.0 112.605 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.88 9.7 55.92 Favored Glycine 0 C--N 1.322 -0.239 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.685 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -74.27 -12.58 60.59 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 117.316 0.558 . . . . 25.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 23.73 58.06 Favored Glycine 0 C--O 1.235 0.216 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.215 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.6 p -131.64 160.46 35.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 25.0 111.528 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.96 169.83 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.012 -2.218 . . . . 50.0 105.012 175.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' A' ' 30' ' ' LYS . 25.1 p -87.1 165.35 15.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 175.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 p -60.2 -26.83 66.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.531 0.682 . . . . 25.0 110.991 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' H ' ' HG1' ' A' ' 28' ' ' THR . 4.1 mptt -73.92 -37.19 64.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.05 -18.04 62.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.884 -0.598 . . . . 50.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.46 -43.04 75.12 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.38 -36.96 93.85 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.459 -0.877 . . . . 50.0 111.547 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.1 OUTLIER -68.94 -35.0 76.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.06 -46.15 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 108.894 -0.78 . . . . 50.0 108.894 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.9 mmt -60.48 -44.65 95.69 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -59.28 -35.37 73.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.781 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -69.17 -25.15 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.3 -0.25 . . . . 25.0 111.326 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.49 0.48 56.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.128 0.489 . . . . 25.0 110.129 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.57 0.28 88.06 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.893 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.12 132.09 34.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.966 0.413 . . . . 25.0 110.518 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.23 92.27 18.38 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.319 -0.4 . . . . 50.0 110.267 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.56 153.58 73.33 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 115.373 -2.618 . . . . 50.0 110.754 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.91 139.58 50.76 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 174.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.36 -27.51 68.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.9 87.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.031 -0.418 . . . . 25.0 110.405 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.93 -35.68 72.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.42 -35.54 80.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.57 -44.72 93.28 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.416 -0.326 . . . . 25.0 110.127 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.86 -41.9 92.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.209 0.458 . . . . 25.0 110.502 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.5 mtt -61.27 -34.19 74.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.229 0.538 . . . . 50.0 111.403 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.06 -45.26 22.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 mm -60.85 -39.95 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.51 -27.11 68.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.511 -0.876 . . . . 25.0 111.71 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.08 -33.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.606 0.717 . . . . 25.0 110.136 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.01 -26.2 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.81 70.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.778 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.57 -24.06 60.04 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.597 1.189 . . . . 50.0 108.95 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.95 8.93 87.25 Favored Glycine 0 N--CA 1.458 0.156 0 CA-C-N 113.359 -1.746 . . . . 25.0 115.814 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -88.27 -28.94 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.48 25.24 60.43 Favored Glycine 0 C--O 1.243 0.667 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -128.25 154.11 46.23 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.291 0.637 . . . . 25.0 109.629 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -130.95 126.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 160.76 20.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.982 0.42 . . . . 50.0 110.2 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.77 -46.91 99.68 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.78 -32.88 55.6 Favored 'Trans proline' 0 C--N 1.357 0.978 1 C-N-CA 112.709 -4.394 . . . . 25.0 114.714 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -22.98 51.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.535 -0.728 . . . . 50.0 111.279 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -39.68 94.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 172.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -41.82 75.35 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.188 -0.32 . . . . 25.0 110.207 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -58.72 -38.19 77.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.948 0.404 . . . . 25.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 tpp -59.83 -42.57 93.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.014 0.435 . . . . 25.0 110.625 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 -179.811 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 116.282 1.956 . . . . 25.0 116.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.08 -46.19 88.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.796 0.725 . . . . 25.0 111.465 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.01 -41.66 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -65.8 -36.27 83.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.001 -0.545 . . . . 25.0 112.061 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.54 -32.88 74.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.216 -0.302 . . . . 25.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.1 -35.92 70.01 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.609 0.242 . . . . 25.0 110.832 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -86.52 -37.84 17.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.067 0.46 . . . . 25.0 110.597 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -58.55 -33.11 69.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.69 -17.93 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 O-C-N 121.78 -0.575 . . . . 25.0 111.517 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.38 -1.45 35.99 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.95 -0.469 . . . . 25.0 111.473 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.96 74.91 7.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.494 1.14 . . . . 25.0 109.131 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -69.89 -23.74 63.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.662 -175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -93.25 -11.75 31.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.918 0.389 . . . . 25.0 111.019 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.26 27.61 72.6 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 116.267 -0.424 . . . . 25.0 112.136 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -123.21 8.28 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 -174.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.55 5.85 84.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.97 -0.633 . . . . 25.0 114.405 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -115.51 140.19 49.38 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.67 0.735 . . . . 25.0 111.333 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.88 160.87 36.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 104.861 -2.274 . . . . 25.0 104.861 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.9 t -73.7 152.99 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.11 -25.27 65.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.949 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.5 96.34 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -74.36 -34.24 63.31 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.909 -0.774 . . . . 50.0 108.909 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -66.0 -31.24 72.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.701 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -66.76 -36.82 83.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.191 -0.318 . . . . 25.0 110.809 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.49 -45.87 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.4 -38.91 88.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.948 0.88 . . . . 50.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -17.26 62.43 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.165 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -86.91 -40.72 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.34 -31.51 72.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.956 0.408 . . . . 50.0 111.086 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.18 21.95 21.26 Favored Glycine 0 C--O 1.23 -0.148 0 C-N-CA 120.798 -0.715 . . . . 25.0 114.862 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.67 81.85 1.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -140.72 41.87 1.85 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -171.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.52 -55.28 16.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.33 157.25 28.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 169.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.32 -23.11 66.31 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.94 0.876 . . . . 50.0 109.004 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.91 -22.74 65.06 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.929 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.14 -38.12 89.93 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.639 0.733 . . . . 25.0 109.607 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.57 -42.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 122.054 0.93 . . . . 25.0 109.723 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -44.02 61.5 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.021 1.489 . . . . 50.0 115.021 -173.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.42 -39.39 90.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.094 -0.379 . . . . 25.0 111.356 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.8 mmm -62.0 -27.14 68.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.55 0.574 . . . . 50.0 112.55 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 -37.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.28 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.91 -23.09 66.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -72.67 -24.91 61.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.507 0.67 . . . . 50.0 111.44 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.59 168.94 15.91 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.605 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.2 163.66 27.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.835 -0.62 . . . . 50.0 110.636 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 pt -77.23 164.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 114.989 1.477 . . . . 25.0 114.989 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.49 124.73 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.12 -0.946 . . . . 50.0 109.977 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.32 -59.94 1.51 Allowed Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -107.0 12.06 29.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.677 0.751 . . . . 25.0 109.495 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.64 -2.34 82.45 Favored Glycine 0 C--O 1.236 0.266 0 CA-C-N 115.869 -0.605 . . . . 25.0 112.5 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -117.68 149.8 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.019 0.527 . . . . 50.0 111.414 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -133.37 155.48 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -92.26 100.96 13.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.153 0.978 . . . . 50.0 111.625 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -62.03 -23.91 66.74 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 114.577 1.325 . . . . 50.0 114.577 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.13 -35.57 81.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 25.0 111.652 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -88.97 -26.75 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.656 -0.653 . . . . 25.0 109.46 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -66.89 -42.72 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.714 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.68 -31.55 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.14 -0.689 . . . . 50.0 109.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.23 -39.86 68.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.425 -0.584 . . . . 25.0 109.425 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.8 tpp -65.15 -34.54 78.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.819 0.343 . . . . 50.0 111.111 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.79 -28.23 68.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 -179.415 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.225 -0.189 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.58 -32.44 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.679 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.41 -38.26 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.63 96.15 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -61.73 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.309 0.576 . . . . 25.0 109.933 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.1 -36.39 83.86 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.092 -0.38 . . . . 50.0 110.025 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -40.94 95.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.439 -0.163 . . . . 25.0 111.258 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.3 -40.78 86.09 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.63 -0.828 . . . . 25.0 110.196 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -35.39 80.92 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.226 0.536 . . . . 25.0 110.979 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.58 -46.01 70.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.223 0.535 . . . . 50.0 110.055 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -68.52 -15.08 63.42 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -22.34 66.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.822 -0.436 . . . . 50.0 109.822 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CD2' HG23 ' A' ' 35' ' ' VAL . 91.8 m-85 -113.93 -22.97 9.84 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.214 0.449 . . . . 50.0 112.214 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -77.37 87.99 3.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.353 1.073 . . . . 50.0 108.773 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -69.61 -24.9 63.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.492 -1.231 . . . . 25.0 114.181 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.01 -27.77 12.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.162 1.171 . . . . 50.0 114.162 -172.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.63 40.17 Favored Glycine 0 C--N 1.321 -0.257 0 C-N-CA 121.507 -0.377 . . . . 25.0 113.607 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.1 -11.63 59.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.023 0.439 . . . . 25.0 111.043 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.85 44.51 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 121.349 -0.453 . . . . 25.0 112.841 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 p -132.2 162.5 30.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.207 0.527 . . . . 25.0 112.333 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.07 162.45 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 103.089 -2.93 . . . . 50.0 103.089 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.0 p -82.19 161.1 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.754 1.161 . . . . 25.0 108.725 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.4 p -59.5 -36.73 76.62 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 122.107 0.956 . . . . 25.0 108.838 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.66 -36.05 75.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.817 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.17 -12.02 58.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.528 0.936 . . . . 50.0 113.528 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.23 -46.1 62.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.195 0.521 . . . . 25.0 111.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.65 -34.29 89.51 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.673 -0.775 . . . . 50.0 112.425 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -41.01 61.67 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.284 -0.539 . . . . 25.0 111.018 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 19' ' ' PHE . 73.9 t -65.81 -48.46 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.959 -0.386 . . . . 50.0 109.959 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 tpt -59.88 -42.24 93.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 25.0 110.646 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.0 -24.07 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.967 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -68.22 -19.03 64.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.003 -0.436 . . . . 25.0 111.835 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.24 8.04 29.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.126 0.489 . . . . 25.0 110.461 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.05 4.78 88.2 Favored Glycine 0 C--O 1.223 -0.552 0 C-N-CA 121.07 -0.586 . . . . 25.0 114.379 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -130.5 132.08 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -103.97 143.13 26.04 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.932 -1.507 . . . . 50.0 106.932 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.92 168.82 20.29 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 117.005 -1.53 . . . . 50.0 108.612 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -75.34 155.82 36.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 103.242 -2.873 . . . . 25.0 103.242 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -62.27 -27.26 68.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.676 -0.64 . . . . 25.0 112.106 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.86 92.47 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.473 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.71 -43.22 97.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.288 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.74 -47.46 72.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.304 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.21 -43.59 98.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 25.0 111.367 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtt -66.12 -30.34 70.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.317 0.488 . . . . 50.0 112.317 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.61 -49.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mm -60.94 -38.72 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.57 -17.39 64.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.88 -41.68 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 25.0 111.696 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -13.81 62.52 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.67 -0.644 . . . . 50.0 111.743 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -28.32 69.83 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 110.938 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.88 -24.07 59.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.236 1.017 . . . . 50.0 109.927 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 6.15 75.29 Favored Glycine 0 C--O 1.23 -0.143 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.124 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -65.78 -28.6 69.13 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.186 0.517 . . . . 25.0 111.789 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.36 -10.09 6.74 Favored Glycine 0 C--O 1.239 0.448 0 N-CA-C 115.991 1.156 . . . . 25.0 115.991 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -128.19 162.16 27.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 117.221 0.51 . . . . 25.0 110.759 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.6 mt -127.09 127.94 70.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.66 170.74 14.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.286 1.041 . . . . 50.0 110.192 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.44 -45.59 77.5 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -65.57 -24.23 56.23 Favored 'Trans proline' 0 C--N 1.356 0.945 1 C-N-CA 112.767 -4.355 . . . . 25.0 114.129 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -71.57 -41.76 68.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.814 -0.809 . . . . 50.0 108.814 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -56.95 -44.61 82.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.51 -35.97 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.091 -0.381 . . . . 25.0 111.193 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.5 m -63.29 -39.61 95.06 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.83 -42.26 97.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.0 mmt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.899 0.381 . . . . 50.0 110.695 179.43 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.65 -44.65 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.513 0.673 . . . . 25.0 109.39 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 84.0 mt -68.21 -42.05 84.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-O 121.697 0.761 . . . . 25.0 109.467 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.51 -41.7 98.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 110.526 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.41 -47.92 66.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.31 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.469 0.914 . . . . 25.0 113.469 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -82.02 -28.46 32.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -65.61 -18.37 65.27 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.18 -28.42 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 120.953 0.406 . . . . 25.0 110.502 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -109.29 14.4 23.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -65.66 111.23 3.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.571 0.7 . . . . 25.0 110.13 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -66.83 -48.55 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.74 5.31 13.1 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.04 29.54 56.83 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 108.198 -1.961 . . . . 25.0 108.198 -175.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -128.69 13.33 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.556 0.743 . . . . 25.0 112.877 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.75 4.56 90.3 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.409 0.924 . . . . 25.0 115.409 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -96.71 136.43 37.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.267 1.033 . . . . 25.0 111.171 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -132.81 163.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 t -77.1 151.89 35.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.91 66.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.446 0.641 . . . . 25.0 109.33 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.9 83.5 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.99 0.424 . . . . 25.0 110.052 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -77.92 -30.78 50.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.048 -0.523 . . . . 25.0 109.773 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.65 -46.04 88.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -63.41 -39.66 95.09 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.458 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.81 -43.75 98.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.779 -0.191 . . . . 25.0 111.205 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.61 -42.27 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.0 mtt -61.37 -43.09 99.47 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.559 -0.456 . . . . 50.0 111.914 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 p -70.53 -26.46 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.929 -0.482 . . . . 25.0 111.461 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.85 -23.11 61.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.748 0.308 . . . . 25.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -90.57 -2.86 57.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 50.0 110.709 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 127.14 123.8 2.66 Favored Glycine 0 CA--C 1.516 0.117 0 CA-C-O 121.503 0.502 . . . . 25.0 112.747 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.51 154.17 42.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.396 0.617 . . . . 25.0 110.572 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -94.63 175.78 6.54 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.32 -47.87 82.35 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.113 0.782 . . . . 25.0 113.113 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.3 t -119.01 152.73 35.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.31 -30.18 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.353 0.596 . . . . 50.0 109.74 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -60.21 -35.03 74.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.463 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.19 -23.37 67.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.386 0.612 . . . . 25.0 110.272 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.25 -48.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -41.48 86.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.453 1.649 . . . . 50.0 115.453 -173.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -68.22 -30.47 69.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.409 -0.516 . . . . 25.0 110.324 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 46.8 ttp -67.4 -31.28 71.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.546 0.689 . . . . 50.0 110.365 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.5 mt -78.29 -32.49 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -66.39 -10.17 40.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.63 -30.61 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 50.0 110.092 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.4 158.9 15.82 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.084 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 65.66 1.06 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 122.016 0.912 . . . . 50.0 112.076 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.1 pt -65.87 -18.03 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.921 1.082 . . . . 25.0 113.921 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.54 -6.81 59.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 50.0 111.002 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.08 -54.59 3.14 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.712 -0.756 . . . . 25.0 114.407 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -120.12 -21.47 7.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 -8.82 11.75 Favored Glycine 0 C--O 1.24 0.508 0 O-C-N 121.832 -0.542 . . . . 25.0 113.45 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -118.01 152.12 36.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.688 . . . . 50.0 106.441 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.84 149.94 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -87.53 112.2 21.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.05 -2.204 . . . . 50.0 105.05 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -61.28 -30.44 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.594 0.961 . . . . 50.0 113.594 -171.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.2 -42.89 96.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.458 0.647 . . . . 25.0 110.521 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -72.88 -34.93 67.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.446 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -68.45 -33.53 74.35 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.791 -0.764 . . . . 25.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.49 -42.53 95.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 N-CA-C 108.305 -0.998 . . . . 50.0 108.305 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.91 -38.04 87.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 25.0 110.585 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.2 ttm -62.61 -41.68 99.14 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.951 0.5 . . . . 50.0 111.391 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mtm -71.81 -17.43 62.16 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.329 -0.232 . . . . 25.0 111.049 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 106.55 -1.648 . . . . 25.0 106.55 -179.698 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -63.73 -35.47 80.68 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.906 -0.317 . . . . 25.0 110.295 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.5 -37.72 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.4 81.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -63.09 -39.63 95.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.233 -0.292 . . . . 25.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -64.79 -39.1 93.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.871 -0.418 . . . . 50.0 109.871 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -66.33 -45.82 78.97 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.812 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -69.03 -31.7 70.69 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.575 -0.85 . . . . 25.0 110.27 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.26 86.47 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.62 -42.93 73.7 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.27 -0.641 . . . . 50.0 109.27 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 t -57.97 -32.35 67.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.121 0.968 . . . . 25.0 112.707 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.97 -24.85 64.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.211 0.448 . . . . 50.0 112.211 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -113.52 -2.98 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.172 0.804 . . . . 50.0 113.172 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -85.87 80.23 8.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.823 -1.547 . . . . 50.0 106.823 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -24.28 36.63 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.417 -175.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.63 -26.23 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.48 0.919 . . . . 50.0 113.48 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.8 18.4 47.88 Favored Glycine 0 C--N 1.322 -0.241 0 N-CA-C 111.336 -0.706 . . . . 25.0 111.336 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -86.75 -17.73 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.949 0.404 . . . . 25.0 110.429 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.55 14.78 72.7 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-O 119.094 -0.837 . . . . 25.0 114.205 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.15 164.51 21.46 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.132 0.966 . . . . 25.0 112.181 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -133.17 159.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 104.855 -2.276 . . . . 50.0 104.855 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -85.46 160.48 19.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 p -62.52 -24.91 67.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.045 0.926 . . . . 25.0 110.364 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -70.74 -30.96 67.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.527 -0.761 . . . . 25.0 109.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.35 -13.9 45.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 50.0 110.445 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.12 -37.85 64.79 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 122.028 -0.42 . . . . 25.0 111.179 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.72 98.02 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.343 -0.932 . . . . 50.0 111.739 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.7 80.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.78 -0.247 . . . . 25.0 111.412 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.95 -46.36 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 50.0 110.587 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.613 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -26.37 67.6 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -72.44 -11.4 60.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -5.71 43.16 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.518 0.675 . . . . 25.0 109.278 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.53 -4.64 43.58 Favored Glycine 0 N--CA 1.454 -0.14 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.185 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -140.49 137.07 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.33 0.565 . . . . 25.0 109.801 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.92 151.73 47.59 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.898 -0.408 . . . . 50.0 109.898 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.76 176.93 9.49 Favored 'Trans proline' 0 C--O 1.239 0.549 0 N-CA-C 108.636 -1.332 . . . . 50.0 108.636 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.32 144.75 53.43 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -65.37 -33.7 76.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.982 -0.448 . . . . 25.0 111.672 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -44.74 73.12 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.5 -37.06 84.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.543 0.687 . . . . 25.0 109.77 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.64 -43.45 98.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -42.54 92.27 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.62 -0.432 . . . . 25.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -58.58 -44.51 89.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.0 0.429 . . . . 25.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.26 -34.82 79.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.821 0.343 . . . . 50.0 111.366 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -68.18 -41.98 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.15 -43.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 119.049 -0.501 . . . . 25.0 112.059 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.36 -43.08 88.25 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.098 0.863 . . . . 25.0 112.336 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.301 0.572 . . . . 25.0 112.135 -175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.49 -25.59 60.52 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.072 -1.018 . . . . 50.0 108.81 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.85 -33.01 68.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.07 -26.06 68.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 122.669 1.223 . . . . 50.0 108.518 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.03 83.62 Favored Glycine 0 CA--C 1.508 -0.365 0 CA-C-N 113.525 -1.67 . . . . 25.0 115.515 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -91.82 -29.07 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.52 37.07 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -131.73 152.39 50.95 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -129.11 121.52 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 160.24 23.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.33 -0.989 . . . . 50.0 108.33 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.02 -45.6 99.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.79 -30.97 58.68 Favored 'Trans proline' 0 C--N 1.355 0.911 1 C-N-CA 112.871 -4.286 . . . . 25.0 114.243 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -31.2 63.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.916 -0.49 . . . . 50.0 110.367 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.22 -42.91 99.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.28 -39.95 81.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.638 -0.664 . . . . 25.0 110.201 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -63.95 -42.16 97.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -67.99 -33.92 75.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.448 -0.782 . . . . 25.0 110.247 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 109.25 -0.648 . . . . 50.0 109.25 176.092 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.96 -43.59 98.52 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.328 0.967 . . . . 25.0 109.656 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -70.75 -41.83 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.605 0.717 . . . . 25.0 109.395 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.26 -38.34 78.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.37 -33.46 63.45 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.9 22.91 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.71 -31.18 13.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -64.13 -25.95 68.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -67.48 -19.93 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -119.79 6.58 10.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -73.09 132.36 43.21 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -61.79 -49.68 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -128.43 4.91 5.67 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.015 0.436 . . . . 25.0 110.717 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.38 32.56 27.86 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 107.933 -2.067 . . . . 25.0 107.933 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -66.37 -26.01 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.04 74.77 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.947 -0.861 . . . . 25.0 110.947 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -128.42 141.55 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.381 0.672 . . . . 25.0 109.307 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 pt -141.22 168.05 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 t -74.26 150.97 39.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.29 68.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.514 0.673 . . . . 25.0 110.559 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.11 74.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.582 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -35.46 37.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.89 -45.83 93.05 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.335 -1.357 . . . . 50.0 107.335 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.021 -0.99 . . . . 25.0 111.27 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.2 -43.63 94.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.825 -0.547 . . . . 25.0 110.851 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.87 -42.9 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.12 -35.59 80.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.135 0.42 . . . . 50.0 112.135 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.5 m -62.53 -35.34 79.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.085 0.469 . . . . 25.0 110.117 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.07 -5.57 39.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 25.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.8 tp -131.17 44.2 2.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.214 -1.402 . . . . 50.0 107.214 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.99 -170.2 3.28 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 58.29 47.9 13.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.892 0.877 . . . . 25.0 111.999 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -125.53 129.93 50.72 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.7 mt 52.62 -147.76 0.45 Allowed 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.287 0.992 . . . . 25.0 109.317 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -118.87 160.54 21.75 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.911 -2.255 . . . . 25.0 104.911 171.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.58 -34.03 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.249 0.547 . . . . 50.0 110.031 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.22 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.858 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -76.88 -34.39 57.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 25.0 110.378 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.44 -33.78 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 25.0 110.536 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.7 -44.73 63.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.118 0.784 . . . . 50.0 113.118 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.53 -35.85 70.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -70.84 -27.37 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.081 -0.387 . . . . 50.0 111.023 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.44 -42.41 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -60.72 -31.18 70.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.81 -27.9 58.1 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.005 0.431 . . . . 50.0 112.156 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.29 -31.59 13.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.95 122.15 15.3 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.918 1.081 . . . . 50.0 113.918 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.61 103.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.48 -26.33 61.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.712 -1.131 . . . . 50.0 113.046 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.4 -38.77 95.29 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 115.523 0.969 . . . . 25.0 115.523 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -126.04 -8.02 6.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.451 1.649 . . . . 25.0 115.451 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.41 19.41 74.12 Favored Glycine 0 C--O 1.249 1.061 0 C-N-CA 121.357 -0.449 . . . . 25.0 113.113 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.92 169.11 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.124 0.487 . . . . 50.0 111.067 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.85 159.93 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -96.65 138.83 33.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.766 -2.679 . . . . 50.0 103.766 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -105.9 -8.25 17.77 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.1 -32.92 73.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.693 -0.855 . . . . 25.0 108.693 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -63.35 -39.36 94.34 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.8 -31.1 69.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.608 -0.683 . . . . 25.0 111.425 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.93 -46.86 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.95 -1.5 . . . . 50.0 106.95 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -61.31 -49.75 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.939 0.4 . . . . 25.0 110.264 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 ttm -63.58 -21.18 66.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.492 1.293 . . . . 50.0 114.492 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -98.94 -28.3 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.538 0.498 0 CA-C-N 118.035 0.38 . . . . 25.0 111.181 179.52 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 120.522 0.201 . . . . 25.0 110.474 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.93 -36.72 64.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.62 -36.71 78.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.48 93.37 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.75 -42.91 89.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.047 0.385 . . . . 25.0 110.561 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -62.77 -40.13 96.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.705 -0.398 . . . . 50.0 110.0 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -70.11 -41.17 74.35 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.604 -0.438 . . . . 25.0 111.405 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -64.15 -44.24 92.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.65 78.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.088 0.471 . . . . 25.0 110.834 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.02 -48.57 57.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.145 0.498 . . . . 50.0 110.091 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -70.37 -14.74 62.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.28 -25.84 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.95 -26.29 8.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 50.0 112.591 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -79.73 82.06 5.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.686 0.755 . . . . 50.0 109.168 174.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -97.47 -1.79 43.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.264 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.47 -28.05 16.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.572 0.701 . . . . 50.0 110.247 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.79 9.37 61.19 Favored Glycine 0 C--O 1.23 -0.156 0 CA-C-N 115.344 -0.843 . . . . 25.0 114.803 173.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -73.11 -15.54 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.07 0.435 . . . . 25.0 111.736 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.74 16.77 65.03 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.7 p -132.75 165.05 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.382 0.611 . . . . 25.0 111.869 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -135.29 164.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 104.168 -2.531 . . . . 50.0 104.168 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.5 p -92.46 161.94 14.43 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 p -58.34 -30.67 66.92 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.557 0.694 . . . . 25.0 110.194 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -59.89 -35.08 74.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.919 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -97.12 -5.91 36.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -53.46 -46.37 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 25.0 110.96 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.28 91.87 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.696 -0.764 . . . . 50.0 112.154 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -33.24 66.78 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.123 -0.634 . . . . 25.0 112.016 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.04 -44.34 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 108.423 -0.955 . . . . 50.0 108.423 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.1 mtp -61.95 -41.06 97.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -57.41 -35.91 70.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.804 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.8 t -68.09 -22.6 64.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.14 6.65 48.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.524 0.678 . . . . 25.0 109.481 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 -4.74 82.72 Favored Glycine 0 CA--C 1.517 0.176 0 CA-C-N 115.883 -0.599 . . . . 25.0 114.305 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -91.15 127.07 36.43 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.03 -0.688 . . . . 25.0 109.731 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.84 114.21 56.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 105.39 -2.078 . . . . 50.0 105.39 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.2 153.15 45.87 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 115.723 -2.384 . . . . 50.0 112.511 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -71.99 165.5 24.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.601 -1.629 . . . . 25.0 106.601 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -33.81 76.75 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.61 70.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.19 -41.9 89.62 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.082 0.468 . . . . 25.0 110.72 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.66 -42.89 99.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.089 -0.505 . . . . 25.0 109.891 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.66 -44.4 74.16 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.05 -0.26 . . . . 25.0 110.611 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.49 -44.52 84.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.3 -32.69 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.896 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.86 -39.31 77.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 119.236 -0.411 . . . . 25.0 110.463 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.09 -37.75 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.745 0.702 . . . . 25.0 111.83 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -58.3 -38.38 76.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.663 . . . . 25.0 111.064 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -88.34 -25.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.229 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.95 -32.33 73.5 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.625 -0.88 . . . . 50.0 108.625 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -34.59 78.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.959 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.47 -26.51 51.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.716 1.246 . . . . 50.0 110.391 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 5.15 62.35 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -88.45 -25.94 22.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.644 1.222 . . . . 25.0 111.349 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.77 84.5 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 120.84 -0.695 . . . . 25.0 114.76 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.7 p -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.015 0.407 . . . . 25.0 110.846 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.6 mt -134.26 123.39 43.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.586 -1.265 . . . . 25.0 107.586 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.53 163.35 21.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.943 0.402 . . . . 50.0 110.066 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.17 -46.96 99.63 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -66.33 -31.0 44.43 Favored 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 112.816 -4.323 . . . . 25.0 114.129 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.56 -28.65 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.609 -0.682 . . . . 50.0 110.702 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.31 -45.77 92.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.24 -41.5 89.94 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 122.103 -0.373 . . . . 25.0 111.004 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -67.96 -42.93 80.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.2 ttp -63.48 -40.43 97.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.637 -0.664 . . . . 25.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 C--N 1.327 -0.38 0 O-C-N 121.989 -0.444 . . . . 50.0 110.493 178.371 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 119.999 -0.048 . . . . 25.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.35 -38.99 92.98 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.35 -39.37 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.227 -0.442 . . . . 25.0 109.919 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.34 -35.08 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 111.549 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.2 59.8 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.563 0.22 . . . . 25.0 111.536 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -95.96 -30.94 13.33 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -64.25 -27.32 68.97 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -68.05 -13.82 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.832 -0.543 . . . . 25.0 111.611 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.44 -2.06 29.48 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.18 85.54 7.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.827 0.822 . . . . 25.0 109.02 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.64 71.66 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.49 -7.38 22.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -173.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.86 29.65 64.82 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -112.68 1.79 15.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -175.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.67 1.23 90.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 116.379 1.312 . . . . 25.0 116.379 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -104.39 137.69 41.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.469 1.135 . . . . 25.0 113.664 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.7 pt -136.98 162.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.4 t -79.65 151.74 30.38 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.245 -0.91 . . . . 25.0 109.021 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.63 69.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.72 83.77 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 110.313 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -76.14 -32.4 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.38 -47.79 82.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -64.74 -30.08 71.08 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.987 -0.445 . . . . 25.0 110.955 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.88 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -44.46 96.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.992 0.738 . . . . 50.0 112.992 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.8 t -71.21 -26.71 63.06 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.583 -0.698 . . . . 25.0 110.49 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -72.31 -31.62 65.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.976 -0.452 . . . . 25.0 110.662 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.72 -19.01 61.47 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.94 114.66 2.12 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.393 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.13 87.24 0.77 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.58 0.705 . . . . 25.0 109.526 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -123.43 1.06 8.95 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.936 -0.575 . . . . 25.0 112.503 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.9 167.5 16.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 -174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.19 148.89 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.306 0.379 . . . . 25.0 110.245 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.23 -47.19 87.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 50.0 110.095 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.43 -32.58 71.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.851 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -62.8 -29.35 70.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.732 0.813 . . . . 25.0 111.375 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.84 -42.58 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.933 0.873 . . . . 25.0 109.618 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -64.23 -32.06 73.5 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.857 1.429 . . . . 50.0 114.857 -174.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.42 -28.8 67.27 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.443 0.535 . . . . 25.0 112.443 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.0 mtm -76.67 -36.57 57.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.699 0.762 . . . . 50.0 109.375 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.72 -27.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.11 64.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.8 -27.65 17.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.438 0.637 . . . . 50.0 110.739 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.27 90.22 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -151.49 -179.38 7.34 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.622 1.712 . . . . 50.0 115.622 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.41 136.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.932 -1.031 . . . . 25.0 109.225 -176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.24 -24.04 6.65 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.184 1.55 . . . . 50.0 115.184 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.83 -22.08 58.47 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-O 119.611 -0.549 . . . . 25.0 114.062 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -106.81 -28.69 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.425 0.612 . . . . 25.0 111.963 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.65 16.08 28.61 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 118.702 2.241 . . . . 25.0 118.702 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.73 137.16 52.88 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.136 1.468 . . . . 50.0 112.543 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.11 160.42 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -103.43 129.22 50.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 104.627 -2.36 . . . . 50.0 104.627 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -77.89 -24.01 48.58 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -172.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.76 -39.57 91.18 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.022 -0.424 . . . . 25.0 111.753 -176.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -84.22 -27.67 27.81 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.726 -0.608 . . . . 25.0 110.024 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -71.86 -36.41 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.938 -0.705 . . . . 25.0 111.502 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.02 -26.02 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.261 -1.014 . . . . 50.0 108.261 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -76.16 -40.72 51.85 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.7 ttm -58.22 -48.38 80.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.473 0.309 . . . . 50.0 111.199 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.21 -4.25 13.36 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.534 0.36 0 O-C-N 121.784 -0.572 . . . . 25.0 111.808 178.804 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 C--O 1.223 -0.31 0 CA-C-O 120.638 0.256 . . . . 25.0 111.39 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.17 -24.99 57.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.598 -0.841 . . . . 25.0 110.637 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.99 -34.05 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.35 87.17 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.978 -0.451 . . . . 25.0 109.835 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.53 -43.02 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.011 0.369 . . . . 25.0 110.259 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.38 -44.0 79.79 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.919 -0.771 . . . . 50.0 108.919 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.95 -45.09 83.04 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.923 -0.58 . . . . 25.0 112.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -77.94 -34.27 51.27 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.847 -0.533 . . . . 25.0 112.376 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.66 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -71.5 -45.89 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 50.0 110.358 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -64.97 -20.68 66.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.15 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.71 -22.45 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -116.92 -2.16 11.84 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.909 0.707 . . . . 50.0 112.909 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.51 98.35 6.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.664 -1.235 . . . . 50.0 107.664 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -69.8 -27.0 64.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -109.77 -27.82 9.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.013 1.486 . . . . 50.0 115.013 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.84 14.56 39.62 Favored Glycine 0 C--O 1.228 -0.231 0 N-CA-C 111.988 -0.445 . . . . 25.0 111.988 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -80.48 -7.23 59.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.895 0.378 . . . . 25.0 111.717 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.87 22.22 50.3 Favored Glycine 0 C--O 1.241 0.554 0 C-N-CA 121.301 -0.476 . . . . 25.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -131.56 162.85 29.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.462 0.649 . . . . 25.0 112.384 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -134.09 167.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 104.115 -2.55 . . . . 50.0 104.115 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.3 p -88.47 167.48 13.41 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.545 -0.862 . . . . 25.0 108.676 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 p -58.48 -31.79 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.204 0.526 . . . . 25.0 110.886 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -65.87 -39.71 90.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.727 0.775 . . . . 25.0 110.619 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.56 -8.79 58.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.014 -0.994 . . . . 50.0 112.848 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.98 -46.4 71.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.073 0.463 . . . . 25.0 111.173 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -36.88 91.28 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.668 -0.777 . . . . 50.0 112.551 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.533 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -68.01 -38.67 82.89 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.429 -0.453 . . . . 25.0 112.021 -178.313 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.64 -45.18 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.234 -0.654 . . . . 50.0 109.234 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 mtt -60.57 -43.16 97.59 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.232 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.31 -26.2 65.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -72.28 -22.19 61.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.812 0.339 . . . . 25.0 110.585 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.7 4.04 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 25.0 109.808 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.88 1.28 90.21 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.258 -0.496 . . . . 25.0 112.644 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -84.95 135.23 34.13 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -106.29 92.29 6.66 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 121.074 0.464 . . . . 50.0 110.856 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.19 162.58 33.89 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 116.863 -1.624 . . . . 50.0 109.312 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 p -84.53 158.64 20.89 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.569 -1.641 . . . . 25.0 106.569 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.61 -30.36 69.07 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.51 -0.744 . . . . 25.0 110.435 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.97 84.06 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.027 0.441 . . . . 25.0 110.334 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.32 -46.43 89.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.05 -42.42 89.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.35 -53.05 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.512 0.196 . . . . 25.0 111.225 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.51 -35.99 78.26 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.653 -0.419 . . . . 25.0 111.817 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 mtt -64.71 -34.72 78.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 50.0 110.118 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -70.82 -38.97 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.07 -37.78 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 117.917 0.326 . . . . 25.0 110.54 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.8 -38.31 87.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.629 -0.669 . . . . 25.0 111.289 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.95 -33.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 25.0 110.245 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.76 -28.89 67.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 50.0 110.271 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.81 78.87 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.762 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.93 -25.28 40.55 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 122.104 0.954 . . . . 50.0 108.59 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.23 82.11 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.223 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -71.1 -28.74 64.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.191 0.52 . . . . 25.0 112.398 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.96 -9.61 1.43 Allowed Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.538 1.375 . . . . 25.0 116.538 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -132.75 165.79 23.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.694 0.747 . . . . 25.0 110.795 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.6 125.02 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.75 168.67 18.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.45 0.643 . . . . 50.0 111.016 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.08 -47.78 96.08 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 114.302 1.223 . . . . 25.0 114.302 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.93 -25.4 44.93 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 113.069 -4.154 . . . . 25.0 113.605 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.52 -31.4 63.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.863 -0.523 . . . . 50.0 109.846 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.16 -41.88 99.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.69 -33.64 76.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 mmt -62.86 -37.76 88.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.63 -0.669 . . . . 25.0 109.779 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.8 mmt . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.983 0.421 . . . . 50.0 110.877 178.062 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.223 -0.334 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.98 -41.4 96.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.78 -38.94 83.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.16 -40.87 94.92 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.764 -0.585 . . . . 25.0 109.956 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.87 -39.35 90.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 25.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.48 81.25 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.819 0.342 . . . . 25.0 111.087 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.26 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.57 -19.37 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -104.9 9.72 34.58 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.988 0.423 . . . . 25.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -75.73 114.06 13.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.382 . . . . 25.0 110.169 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -68.92 -44.7 72.55 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -114.56 0.43 13.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -174.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.49 58.42 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 107.796 -2.122 . . . . 25.0 107.796 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -119.07 9.8 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.38 0.672 . . . . 25.0 112.673 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.05 7.59 85.17 Favored Glycine 0 C--O 1.235 0.181 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.05 132.25 49.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.311 1.055 . . . . 25.0 112.406 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 pt -125.32 157.16 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -71.86 150.88 43.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.518 -0.738 . . . . 25.0 110.104 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.84 77.61 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.107 0.479 . . . . 25.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -75.82 -35.78 59.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.62 -41.92 99.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -61.0 -39.15 88.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.66 -49.72 74.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.82 -39.06 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 117.971 0.351 . . . . 25.0 110.087 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -59.45 -41.01 88.65 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.92 -0.488 . . . . 50.0 110.788 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -69.71 -30.56 68.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.851 0.834 . . . . 25.0 110.303 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -21.6 61.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.985 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -1.49 14.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.42 -174.41 44.65 Favored Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.65 -0.786 . . . . 25.0 112.85 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.45 148.08 45.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -134.21 151.11 51.15 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.64 -36.58 60.14 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.259 0.349 . . . . 25.0 111.933 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.87 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.506 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.51 62.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.593 -1.262 . . . . 50.0 107.593 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -28.57 69.61 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.324 -0.853 . . . . 25.0 109.853 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.5 -25.6 65.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.681 0.753 . . . . 25.0 110.326 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.84 -42.52 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.879 -0.6 . . . . 50.0 112.6 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -61.06 -30.11 70.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.033 0.444 . . . . 25.0 111.423 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.8 ttp -76.53 -39.24 53.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 50.0 110.98 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.17 -40.38 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.128 -0.358 . . . . 25.0 110.956 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -64.67 -10.63 28.33 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.867 1.802 . . . . 25.0 115.867 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.73 -31.39 63.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.334 0.587 . . . . 50.0 109.577 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.62 157.65 20.3 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.436 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.98 140.72 56.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 50.0 109.726 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -124.62 130.68 73.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.38 163.15 28.47 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 123.556 0.742 . . . . 50.0 111.407 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.17 66.4 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 114.841 0.696 . . . . 25.0 114.841 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -80.28 7.06 10.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.108 0.954 . . . . 25.0 110.846 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 35.01 42.37 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 110.659 -0.976 . . . . 25.0 110.659 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -116.25 155.75 27.79 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.23 153.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 130.42 35.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.691 -1.966 . . . . 50.0 105.691 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -82.99 -26.0 31.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.438 1.644 . . . . 50.0 115.438 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -70.83 -37.22 73.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.331 0.969 . . . . 25.0 111.611 -175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -74.42 -33.81 63.07 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -42.43 79.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.84 -35.89 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.494 -0.754 . . . . 50.0 111.539 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -73.39 -29.3 62.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.705 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.1 ttp -63.97 -30.91 71.95 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.892 -0.505 . . . . 50.0 110.212 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.3 mtt -63.29 -18.42 63.58 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.76 0.314 . . . . 25.0 111.785 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -177.031 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 121.525 0.679 . . . . 25.0 109.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.64 -30.14 68.79 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.126 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.4 -37.29 77.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.01 90.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.03 -42.42 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.897 0.38 . . . . 25.0 110.609 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.02 -36.99 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.264 -0.643 . . . . 50.0 109.264 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -65.26 -43.6 90.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.98 -43.22 93.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.5 87.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.053 0.454 . . . . 25.0 111.724 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.291 0.567 . . . . 50.0 109.579 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -63.42 -20.39 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.52 -24.78 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.023 0.379 . . . . 50.0 112.023 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.54 -1.56 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.0 1.111 . . . . 50.0 114.0 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -72.42 104.79 3.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.106 -1.813 . . . . 50.0 106.106 172.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -68.19 -33.99 75.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -116.44 -25.21 7.55 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 115.835 1.791 . . . . 50.0 115.835 -169.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 12.14 33.96 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.494 -0.643 . . . . 25.0 111.494 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.23 -7.85 59.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.963 0.411 . . . . 25.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.55 27.78 46.07 Favored Glycine 0 C--O 1.235 0.201 0 C-N-CA 121.085 -0.579 . . . . 25.0 112.289 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -131.55 158.47 40.88 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -137.06 175.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 104.67 -2.344 . . . . 50.0 104.67 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -98.79 163.84 12.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 p -56.11 -42.55 77.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.423 0.63 . . . . 25.0 110.691 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -63.72 -37.5 87.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.068 0.461 . . . . 25.0 111.826 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -75.45 -6.89 52.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.12 -40.44 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.457 0.646 . . . . 25.0 109.721 174.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.07 -33.1 86.33 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 111.419 -0.672 . . . . 50.0 111.419 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -37.63 73.46 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.241 -0.564 . . . . 25.0 111.253 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.97 -47.49 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.5 mmm -58.22 -44.36 88.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.406 0.622 . . . . 25.0 109.85 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.07 -37.18 71.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.687 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -73.84 -22.46 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.623 -0.431 . . . . 25.0 112.117 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.02 -4.6 50.89 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.71 -4.73 36.84 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 116.313 1.285 . . . . 25.0 116.313 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -133.31 123.13 24.9 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.558 1.179 . . . . 25.0 110.015 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -103.08 124.5 38.22 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 107.79 -1.189 . . . . 50.0 107.79 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.85 161.25 36.5 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.582 -1.145 . . . . 50.0 110.508 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -73.85 165.38 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -57.01 -33.49 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 25.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.05 57.48 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.503 -0.317 . . . . 25.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.31 -35.44 80.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 25.0 109.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.6 -48.8 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.48 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -63.87 -37.74 88.52 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.163 -0.215 . . . . 25.0 111.154 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.51 -39.32 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.834 0.35 . . . . 25.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.1 mtt -72.62 -37.62 68.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 50.0 111.052 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.52 -31.82 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.84 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.32 -35.24 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.971 -0.456 . . . . 25.0 112.189 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.66 -28.24 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.569 -0.707 . . . . 25.0 111.139 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.67 -31.06 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.605 0.716 . . . . 25.0 110.676 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.5 -14.1 47.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.098 -0.501 . . . . 50.0 110.694 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.14 74.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.422 -0.354 . . . . 25.0 110.681 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -95.74 -26.96 15.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.929 0.871 . . . . 50.0 109.188 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.98 84.47 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.246 -0.888 . . . . 25.0 115.045 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -66.94 -25.97 66.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 117.686 0.743 . . . . 25.0 112.393 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.28 10.81 82.06 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 121.708 -0.282 . . . . 25.0 113.461 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.7 p -131.3 156.79 44.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.082 0.441 . . . . 25.0 110.779 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -135.75 122.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -83.26 174.27 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.106 0.955 . . . . 50.0 108.912 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.1 -48.73 87.54 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.69 -23.95 35.63 Favored 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 112.713 -4.391 . . . . 25.0 113.704 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -70.81 -37.93 73.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 50.0 109.618 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -59.77 -44.64 93.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.88 -37.16 83.87 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.119 -0.363 . . . . 25.0 110.672 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -64.6 -39.3 93.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 ttm -64.33 -38.97 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.904 0.383 . . . . 25.0 110.892 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 121.815 0.817 . . . . 50.0 109.991 177.317 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 CA--C 1.528 0.11 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.74 -39.37 91.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.24 -42.29 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 121.751 -0.593 . . . . 25.0 109.536 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -68.83 -39.6 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.193 -0.317 . . . . 25.0 111.13 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -75.76 -25.53 56.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.93 77.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.548 -0.72 . . . . 25.0 111.234 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -69.09 -28.42 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.284 0.564 . . . . 25.0 110.059 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -77.55 -10.38 59.46 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.41 -23.54 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -98.46 -4.99 33.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.048 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -74.98 151.21 38.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -49.91 4.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -174.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -128.94 10.95 6.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.12 0.486 . . . . 25.0 111.658 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.88 21.47 36.19 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 108.155 -1.978 . . . . 25.0 108.155 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.65 -5.78 39.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.94 -3.25 85.92 Favored Glycine 0 N--CA 1.462 0.388 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -138.89 159.54 41.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.638 0.719 . . . . 25.0 110.913 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -135.76 164.61 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 m -78.98 154.3 29.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.97 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.946 0.403 . . . . 25.0 110.876 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.08 95.53 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 109.809 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.46 -38.45 71.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.4 -41.64 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.01 -0.737 . . . . 50.0 109.01 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -38.9 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -65.89 -48.45 71.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.345 -0.242 . . . . 25.0 110.345 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.96 -42.69 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.947 0.403 . . . . 25.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.4 mtt -63.24 -33.44 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.73 -0.606 . . . . 50.0 111.157 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.9 m -73.5 -35.46 65.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.91 -36.49 82.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.22 -34.39 78.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.394 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.37 146.44 5.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.667 -0.777 . . . . 25.0 113.425 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.88 159.39 32.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -134.75 156.87 48.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.66 -40.22 17.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -118.88 164.74 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.451 0.643 . . . . 25.0 109.854 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.68 -24.38 41.8 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.33 -35.08 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.3 -28.28 69.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.834 0.35 . . . . 25.0 111.434 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.67 -43.38 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -29.75 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.16 -38.18 79.12 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 110.186 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtm -79.3 -27.83 42.2 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.068 -0.395 . . . . 50.0 111.038 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.95 -36.83 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -61.91 -34.52 76.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.383 -0.372 . . . . 25.0 111.289 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -83.04 -24.15 32.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.784 1.031 . . . . 50.0 113.784 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 165.22 8.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.099 -0.955 . . . . 25.0 112.652 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -79.52 47.61 0.84 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.115 0.966 . . . . 50.0 112.727 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.0 pt -70.09 158.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.181 0.991 . . . . 25.0 113.513 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -149.69 178.12 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 104.138 -2.541 . . . . 50.0 104.138 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.4 -26.82 57.31 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 116.057 1.183 . . . . 25.0 116.057 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.98 -5.48 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.559 0.679 . . . . 25.0 112.256 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.54 38.89 86.93 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.781 -0.723 . . . . 25.0 114.142 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -118.03 153.62 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.5 m -145.03 150.65 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.639 0.776 . . . . 25.0 109.057 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.95 145.53 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.825 -1.176 . . . . 50.0 107.825 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -93.55 -23.51 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.311 0.856 . . . . 50.0 113.311 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.66 -44.3 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -173.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.14 -32.71 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.942 0.401 . . . . 25.0 109.996 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -69.37 -40.25 77.56 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.06 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.27 -47.1 93.72 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 107.074 -1.454 . . . . 50.0 107.074 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.69 -39.7 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.428 0.291 . . . . 25.0 110.977 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.08 -39.68 93.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.905 0.383 . . . . 50.0 111.799 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.5 mtt -82.31 -33.45 28.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.0 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -179.452 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 121.309 0.576 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -73.54 -30.38 63.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.105 -0.372 . . . . 25.0 110.346 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.44 -37.19 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.893 -0.505 . . . . 25.0 109.792 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.77 -39.92 93.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.97 0.35 . . . . 25.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.826 -0.546 . . . . 50.0 110.518 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.39 99.62 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.305 0.642 . . . . 25.0 110.797 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.29 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.874 0.368 . . . . 25.0 111.154 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.77 -45.56 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.631 0.729 . . . . 50.0 110.223 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -68.45 -22.06 64.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.523 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -25.64 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.75 0.278 . . . . 50.0 111.75 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -109.45 -4.45 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.336 0.495 . . . . 50.0 112.336 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.52 104.13 8.93 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.233 -1.025 . . . . 50.0 108.233 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -69.36 -21.65 63.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.23 -27.74 4.82 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.285 1.587 . . . . 50.0 115.285 -173.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 13.79 39.32 Favored Glycine 0 C--N 1.322 -0.248 0 C-N-CA 121.518 -0.373 . . . . 25.0 113.291 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.86 -11.74 59.86 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.948 0.404 . . . . 25.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.5 27.84 21.25 Favored Glycine 0 C--O 1.235 0.175 0 C-N-CA 121.445 -0.407 . . . . 25.0 113.409 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -134.59 149.89 50.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.81 173.42 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 105.581 -2.007 . . . . 50.0 105.581 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 p -94.96 160.02 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -61.4 -30.48 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.676 0.751 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -73.42 -31.35 63.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.232 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.13 -12.68 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.607 -0.269 . . . . 50.0 111.236 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.29 -39.47 69.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.926 0.393 . . . . 25.0 109.97 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.23 -42.28 99.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.495 -0.859 . . . . 50.0 111.732 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -41.83 67.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.464 -0.433 . . . . 25.0 111.674 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.25 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.964 -0.384 . . . . 50.0 109.964 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -62.42 -22.68 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -64.57 -23.89 67.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.186 -0.321 . . . . 25.0 111.11 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.91 4.88 35.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.189 0.518 . . . . 25.0 110.768 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 5.8 82.72 Favored Glycine 0 C--O 1.229 -0.217 0 C-N-CA 121.425 -0.417 . . . . 25.0 113.917 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -130.29 130.91 45.11 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -135.77 148.18 64.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 50.0 108.514 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -77.48 174.12 13.18 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 110.104 -0.768 . . . . 50.0 110.104 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 ' HG1' ' H ' ' A' ' 47' ' ' GLU . 76.4 p -71.21 163.89 26.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.33 61.02 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' H ' ' HG1' ' A' ' 44' ' ' THR . 38.9 mt-10 -62.57 -33.19 74.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.266 0.555 . . . . 25.0 110.271 -179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.95 -41.61 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -68.22 -39.4 82.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -42.71 95.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.341 0.591 . . . . 25.0 109.902 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mtt -64.75 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.877 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.64 -43.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.11 -39.62 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 122.126 0.17 . . . . 25.0 111.284 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.41 -31.36 44.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -14.79 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -19.23 65.77 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.21 -0.931 . . . . 50.0 110.67 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.28 -24.96 61.18 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.2 -21.64 66.64 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.29 1.043 . . . . 50.0 111.869 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.71 5.98 88.38 Favored Glycine 0 C--O 1.229 -0.168 0 CA-C-N 113.649 -1.614 . . . . 25.0 112.555 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -105.3 -27.93 11.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.44 87.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.762 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.7 p -120.88 159.06 26.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.599 0.36 . . . . 25.0 111.071 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.92 119.93 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 104.401 -2.444 . . . . 25.0 104.401 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.64 173.92 8.74 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.659 -1.608 . . . . 50.0 106.659 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.16 -42.94 84.2 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.06 -26.94 50.2 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 112.805 -4.33 . . . . 25.0 114.108 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.59 -35.08 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.187 0.994 . . . . 50.0 109.055 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.14 -39.76 90.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.19 -38.31 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -67.07 -24.46 65.97 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.951 0.796 . . . . 25.0 111.01 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttm -63.62 -27.32 69.15 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.626 -0.672 . . . . 25.0 109.191 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.755 -0.461 . . . . 50.0 109.755 177.764 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 117.308 2.336 . . . . 25.0 117.308 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.43 -38.33 80.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.484 1.038 . . . . 25.0 111.337 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.57 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.447 0.641 . . . . 25.0 109.723 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -73.29 -35.99 66.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 25.0 110.856 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -28.08 69.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.646 0.378 . . . . 25.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.96 72.0 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.754 -0.591 . . . . 25.0 111.669 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.99 -23.07 28.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.11 0.481 . . . . 25.0 110.593 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -67.63 -15.24 63.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.424 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.1 -25.4 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -104.38 4.42 33.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.61 129.16 39.73 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.091 0.472 . . . . 25.0 110.414 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -72.03 -42.92 65.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -128.83 -5.18 5.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.69 5.05 63.3 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.465 -0.398 . . . . 25.0 112.641 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -96.13 11.8 33.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.417 0.609 . . . . 25.0 112.293 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.87 16.09 56.87 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.855 -0.688 . . . . 25.0 114.345 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.27 142.69 50.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 pt -135.62 164.23 33.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 N-CA-C 104.89 -2.263 . . . . 25.0 104.89 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.581 ' HG ' ' CD ' ' A' ' 104' ' ' GLU . 31.6 p -81.83 162.95 22.65 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 120.759 -1.213 . . . . 25.0 108.363 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.15 68.72 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.545 0.688 . . . . 25.0 109.289 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.53 80.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' CD ' ' HG ' ' A' ' 101' ' ' SER . 2.0 mp0 -68.08 -35.71 78.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.4 tp -58.58 -47.74 83.28 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.976 -0.75 . . . . 50.0 108.976 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -67.56 -35.98 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 119.832 -0.747 . . . . 25.0 110.447 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.22 -49.5 76.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.85 0.295 . . . . 25.0 110.216 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.3 -45.79 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ttm -61.32 -41.92 97.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.702 1.001 . . . . 50.0 113.702 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 t -78.08 -24.6 47.56 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.611 -0.681 . . . . 25.0 110.605 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.17 -31.77 66.25 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.1 -0.375 . . . . 25.0 110.721 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.5 -32.56 12.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.97 12.38 10.73 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.975 1.55 . . . . 25.0 116.975 -176.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.02 46.05 19.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.97 115.94 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.59 -42.62 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -118.87 156.62 29.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -67.63 -37.77 82.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.34 -30.8 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.57 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.73 -28.7 67.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.473 0.654 . . . . 25.0 111.044 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.01 -41.5 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 25.0 109.671 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.69 -44.16 77.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.993 0.738 . . . . 50.0 112.993 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.01 -36.24 67.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 25.0 112.177 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 47.2 ttp -73.39 -38.68 65.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 50.0 110.677 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.27 -35.29 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.222 -0.445 . . . . 25.0 109.9 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -55.37 -32.01 62.23 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.94 -36.49 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.967 0.729 . . . . 50.0 112.967 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.75 -19.52 35.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -136.94 163.96 29.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.78 1.03 . . . . 50.0 113.78 -174.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.3 21.15 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.14 99.74 0.1 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.791 1.775 . . . . 50.0 115.791 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.48 -0.23 76.53 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 115.295 0.878 . . . . 25.0 115.295 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -106.69 -24.56 12.08 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.234 1.017 . . . . 25.0 112.236 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.3 45.89 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.866 -0.607 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -117.79 130.57 56.38 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.302 0.551 . . . . 50.0 111.645 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.63 160.61 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.764 0.426 . . . . 25.0 109.979 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -96.41 152.41 18.63 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.979 -1.859 . . . . 50.0 105.979 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -104.35 -5.98 21.24 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.799 0.666 . . . . 50.0 112.799 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.5 -48.92 70.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.59 0.71 . . . . 25.0 110.498 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -68.89 -31.88 71.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.572 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -31.72 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.325 -0.55 . . . . 25.0 111.704 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.82 -46.57 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 122.071 -0.393 . . . . 50.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -31.82 70.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.3 ttp -70.07 -29.34 66.3 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.852 -0.53 . . . . 50.0 111.944 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.8 mtt -79.19 -4.18 49.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.364 0.875 . . . . 25.0 113.364 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 178.241 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 110.55 -0.166 . . . . 25.0 110.55 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.71 -36.83 73.43 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.93 -37.1 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.12 93.62 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.277 -0.264 . . . . 25.0 110.947 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.01 -45.27 93.31 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.32 -40.21 95.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 50.0 109.828 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.74 -44.56 96.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.618 0.229 . . . . 25.0 111.618 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -68.74 -39.21 80.47 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.895 -0.722 . . . . 25.0 111.017 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.02 79.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 25.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.62 -46.39 66.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.534 0.683 . . . . 50.0 109.312 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.99 -17.1 64.77 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.66 -32.34 71.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.167 0.508 . . . . 50.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -105.62 -12.2 16.04 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -81.71 81.83 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.402 1.096 . . . . 50.0 108.075 175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.92 -9.51 58.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.717 -1.129 . . . . 25.0 113.093 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -108.7 -27.45 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.57 16.56 42.26 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.619 -0.719 . . . . 25.0 112.039 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.14 -16.88 59.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.87 0.366 . . . . 25.0 111.814 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 17.17 73.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 121.257 -0.497 . . . . 25.0 112.173 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.5 p -132.7 165.16 25.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 25.0 111.39 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 pt -135.42 166.81 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 104.924 -2.25 . . . . 50.0 104.924 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -86.1 161.7 18.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 p -58.51 -38.47 77.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.403 0.621 . . . . 25.0 110.005 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.12 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.993 0.425 . . . . 25.0 111.616 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.91 -7.81 59.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.269 0.84 . . . . 50.0 113.269 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.79 -41.69 70.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.503 0.668 . . . . 25.0 109.93 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.34 -37.87 93.17 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.79 -0.719 . . . . 50.0 112.266 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.424 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.16 -0.612 . . . . 25.0 111.84 -178.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.66 -47.63 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.58 -0.896 . . . . 50.0 108.58 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.58 -43.0 99.67 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 25.0 110.363 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -56.12 -36.16 67.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.72 0.295 . . . . 25.0 111.022 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -71.54 -22.11 61.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.56 0.49 56.29 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.44 -1.24 88.47 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 111.521 -0.631 . . . . 25.0 111.521 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.12 123.64 30.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.43 92.26 47.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 107.838 -1.171 . . . . 50.0 107.838 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.76 164.67 33.14 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 117.318 -1.321 . . . . 50.0 109.801 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.08 158.92 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.07 -33.22 72.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.77 76.96 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.277 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.64 -39.64 92.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.931 0.395 . . . . 25.0 110.471 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.41 -43.12 95.4 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.02 -49.35 76.4 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -58.42 -43.43 88.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.993 0.425 . . . . 25.0 111.697 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.1 -34.37 76.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.035 -0.416 . . . . 50.0 111.604 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.36 -43.2 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.695 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.31 -38.95 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -57.56 -30.41 65.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.93 -36.98 6.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.208 0.528 . . . . 25.0 111.107 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -25.73 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.138 -0.351 . . . . 50.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.28 79.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.639 0.257 . . . . 25.0 111.336 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.04 -19.23 51.92 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.34 7.23 76.74 Favored Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.88 1.112 . . . . 25.0 115.88 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.66 -28.22 64.63 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.269 1.035 . . . . 25.0 111.955 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.28 -3.81 3.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 116.969 1.548 . . . . 25.0 116.969 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.1 p -129.53 159.52 36.08 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.819 0.809 . . . . 25.0 110.628 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -133.04 126.25 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.042 -1.836 . . . . 25.0 106.042 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -82.61 173.57 11.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.01 0.909 . . . . 50.0 109.719 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.25 -46.43 61.27 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -66.16 -24.72 51.28 Favored 'Trans proline' 0 C--N 1.355 0.883 1 C-N-CA 112.183 -4.745 . . . . 25.0 113.47 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -69.88 -36.23 75.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.893 -0.504 . . . . 50.0 110.331 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -55.93 -38.96 70.98 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.341 0.591 . . . . 25.0 109.765 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -77.76 -36.1 50.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.624 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 m -64.27 -34.91 79.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.425 0.29 . . . . 25.0 111.307 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.8 mtt -58.3 -28.4 64.98 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.951 -0.468 . . . . 25.0 112.059 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.1 mtt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 122.12 -0.362 . . . . 50.0 111.115 -179.4 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 CA--C 1.499 -0.99 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.1 -20.21 65.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.455 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.45 -45.76 77.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -69.72 -34.77 74.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -61.04 -33.45 73.31 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.903 0.382 . . . . 25.0 111.278 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.31 70.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.804 0.335 . . . . 25.0 111.572 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.04 -30.68 19.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.326 0.584 . . . . 25.0 109.855 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -63.57 -19.66 65.0 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.37 0.668 . . . . 25.0 112.478 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.4 -18.66 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 121.897 -0.502 . . . . 25.0 110.92 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -97.26 -10.9 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.831 -0.543 . . . . 25.0 112.372 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -86.55 89.37 7.89 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -69.99 -25.63 63.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.16 -6.9 14.52 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 -175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.22 30.08 38.8 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.32 -22.94 60.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 0.72 74.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -138.93 155.19 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.414 -0.462 . . . . 25.0 111.201 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -139.12 169.38 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -71.25 147.56 48.07 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.56 -26.0 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.82 84.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.267 0.556 . . . . 25.0 109.706 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.3 -36.92 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.21 -43.29 96.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -62.94 -38.41 90.93 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.365 -0.21 . . . . 25.0 110.44 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.68 -45.61 93.26 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.634 -0.426 . . . . 25.0 110.746 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.44 -40.57 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.0 mtt -57.85 -48.36 80.03 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.525 -0.47 . . . . 50.0 111.208 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -67.42 -38.59 84.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.889 0.376 . . . . 25.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.91 -43.32 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.439 0.638 . . . . 25.0 109.422 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -90.43 31.77 1.0 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.76 -0.655 . . . . 50.0 111.882 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.02 122.54 2.51 Favored Glycine 0 CA--C 1.517 0.187 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.52 175.35 5.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.251 0.548 . . . . 25.0 110.914 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -136.09 173.52 11.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 104.975 -2.232 . . . . 25.0 104.975 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -58.77 3.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.458 0.572 . . . . 25.0 110.091 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.5 p -118.41 161.64 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.73 -23.08 66.67 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.7 -35.49 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.315 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -69.49 -23.02 63.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.068 0.461 . . . . 25.0 110.884 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.16 -42.81 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.96 -38.25 85.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.147 -0.933 . . . . 50.0 111.72 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.31 -43.85 33.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.135 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -70.48 -39.78 74.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.58 0.705 . . . . 50.0 111.225 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.42 -36.98 74.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.779 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 124.028 0.931 . . . . 25.0 113.227 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -15.37 59.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 -177.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.83 148.11 24.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -77.85 82.41 4.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 mm -76.88 116.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.75 168.18 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.356 -0.609 . . . . 50.0 109.356 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.03 58.17 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 115.34 0.896 . . . . 25.0 115.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 25.0 110.649 177.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.75 23.3 76.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.152 -0.546 . . . . 25.0 113.408 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -117.62 147.37 42.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.61 148.04 23.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.019 0.438 . . . . 25.0 111.797 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -78.14 100.13 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -68.17 -33.37 74.34 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 116.458 2.021 . . . . 50.0 116.458 -170.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.3 -42.86 99.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.664 1.12 . . . . 25.0 112.708 -174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -67.17 -35.44 79.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.81 -38.37 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.977 0.418 . . . . 25.0 110.984 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.44 -43.08 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -61.17 -44.69 96.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.9 ttm -61.06 -41.5 96.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.27 0.841 . . . . 50.0 113.27 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.4 ptp -79.03 -26.52 43.19 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.075 -0.65 . . . . 25.0 110.979 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 122.548 1.166 . . . . 25.0 108.724 176.563 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.392 0 CA-C-O 118.36 -0.829 . . . . 25.0 109.199 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.16 -16.48 52.81 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 119.574 1.079 . . . . 25.0 112.412 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -73.64 -22.42 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -160.43 144.78 14.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -83.55 157.76 22.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.315 0.578 . . . . 25.0 109.565 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -62.22 -21.13 64.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.304 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -64.83 -35.48 81.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.194 0.521 . . . . 25.0 110.616 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.73 -35.7 67.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.9 -32.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.46 84.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.55 -38.95 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.983 0.356 . . . . 25.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -60.11 -36.54 77.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.855 -0.528 . . . . 50.0 109.867 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -73.74 -44.0 57.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.657 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.48 -42.2 92.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.196 0.453 . . . . 25.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.35 80.22 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 122.249 -0.282 . . . . 25.0 111.094 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -72.68 -46.36 54.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.337 0.589 . . . . 50.0 109.867 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 t -64.42 -21.96 66.81 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.226 -0.443 . . . . 25.0 112.131 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.92 -23.5 65.3 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.46 0.304 . . . . 50.0 111.622 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.51 -2.07 11.57 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -78.22 76.81 4.73 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.292 1.044 . . . . 50.0 108.46 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -67.28 -37.89 84.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.755 -1.112 . . . . 25.0 113.696 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.46 -25.23 39.01 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.594 -0.73 . . . . 50.0 112.06 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.64 15.72 70.14 Favored Glycine 0 CA--C 1.516 0.139 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.656 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -93.89 2.14 56.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.331 0.586 . . . . 25.0 110.067 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.8 28.14 43.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.494 -0.86 . . . . 25.0 111.749 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -130.0 158.93 38.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.594 0.591 . . . . 25.0 112.594 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.6 pt -135.27 169.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 104.797 -2.297 . . . . 50.0 104.797 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 p -85.17 160.59 19.88 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -57.34 -35.59 70.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.786 0.327 . . . . 25.0 111.797 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.98 -22.55 45.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -12.26 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.273 -0.267 . . . . 50.0 110.953 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.75 -41.44 73.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.158 0.504 . . . . 25.0 110.981 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -36.87 92.75 Favored Glycine 0 C--O 1.225 -0.433 0 C-N-CA 120.751 -0.738 . . . . 50.0 111.401 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -37.04 76.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.189 -0.595 . . . . 25.0 111.8 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.86 -45.82 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.513 -0.921 . . . . 50.0 108.513 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 ttm -63.6 -39.77 95.23 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.249 0.547 . . . . 25.0 110.54 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -63.76 -32.09 73.48 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.428 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -69.3 -22.89 63.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 110.21 -0.293 . . . . 25.0 110.21 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -89.35 0.65 56.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 -5.08 67.62 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 116.691 1.436 . . . . 25.0 116.691 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -107.3 137.79 44.71 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.927 1.363 . . . . 25.0 110.146 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.83 105.14 55.98 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-O 121.214 0.53 . . . . 50.0 110.759 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.07 160.35 36.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 CA-C-O 120.99 0.329 . . . . 50.0 112.734 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -75.79 147.38 39.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.69 -30.59 71.61 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.07 -0.394 . . . . 25.0 110.897 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.07 82.23 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -70.33 -37.92 74.77 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.3 -38.42 77.01 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.641 -0.254 . . . . 25.0 111.026 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -59.43 -44.91 92.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.62 -0.264 . . . . 25.0 110.515 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.13 -32.48 63.18 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.677 0.275 . . . . 25.0 111.665 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 mtt -59.23 -35.2 73.23 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.252 0.549 . . . . 50.0 110.782 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.87 -38.09 74.79 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.882 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -63.59 -38.04 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.462 0.649 . . . . 25.0 111.09 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.04 -10.04 55.58 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.84 -42.87 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.164 0.507 . . . . 25.0 111.896 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -134.34 66.9 1.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.129 0.966 . . . . 50.0 110.827 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.92 63.65 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.246 -0.888 . . . . 25.0 113.18 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -88.22 -18.54 28.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.566 0.698 . . . . 50.0 110.904 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.12 32.35 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 114.95 0.74 . . . . 25.0 114.95 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -64.79 -27.82 69.15 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 117.41 0.605 . . . . 25.0 110.536 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.97 52.22 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.3 p -129.82 158.74 38.63 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.862 1.831 . . . . 25.0 113.784 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.5 mt -138.01 128.85 37.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.416 -2.068 . . . . 25.0 105.416 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.5 169.3 12.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.317 1.056 . . . . 50.0 110.901 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.61 -45.69 76.47 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -65.4 -25.69 56.06 Favored 'Trans proline' 0 C--N 1.358 1.054 1 C-N-CA 112.786 -4.343 . . . . 25.0 113.757 177.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.94 -43.0 65.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -55.79 -44.98 78.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 25.0 110.128 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.04 -36.7 77.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.865 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -64.41 -37.62 88.14 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.01 -0.431 . . . . 25.0 109.916 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.5 ttm -60.16 -46.18 90.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.12 -45.32 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 50.0 109.873 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.4 -27.76 69.31 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -67.93 -43.01 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.184 -0.322 . . . . 25.0 110.308 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -73.0 -33.03 65.53 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.499 0.19 . . . . 25.0 110.885 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -3.92 7.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.412 1.634 . . . . 50.0 115.412 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.17 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.475 -0.765 . . . . 25.0 110.104 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.99 142.97 39.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.909 -1.041 . . . . 25.0 112.791 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -142.53 143.38 32.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -75.3 -36.53 61.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 t -67.07 -51.93 48.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.05 -37.42 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.613 -0.679 . . . . 25.0 111.372 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.43 -35.77 79.89 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.12 -43.91 95.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.071 0.463 . . . . 25.0 110.381 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.73 -41.05 84.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -63.43 -31.89 73.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.88 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.07 -47.8 77.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.789 0.722 . . . . 25.0 112.026 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.8 85.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.048 0.451 . . . . 25.0 111.113 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.44 -23.44 60.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -57.24 -29.52 63.85 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.87 -11.4 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -94.57 -25.44 16.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -85.38 89.46 7.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.069 -1.086 . . . . 25.0 108.069 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -74.58 -24.35 58.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -105.69 -8.98 17.56 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.0 31.72 61.57 Favored Glycine 0 C--N 1.331 0.273 0 N-CA-C 109.186 -1.565 . . . . 25.0 109.186 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -91.01 -14.94 30.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.87 -25.48 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.545 -0.722 . . . . 25.0 112.836 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -116.61 139.31 50.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.46 161.66 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 t -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.555 -0.715 . . . . 25.0 109.134 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.88 66.27 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.463 0.649 . . . . 25.0 110.541 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.03 71.69 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.045 0.45 . . . . 25.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -82.08 -37.4 26.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.71 -41.3 97.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.156 -1.053 . . . . 50.0 108.156 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -59.26 -35.26 73.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.446 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -67.13 -43.27 82.83 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.54 -47.6 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.93 68.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.093 0.473 . . . . 50.0 112.142 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.52 -36.94 37.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 25.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -73.17 -35.3 66.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.297 0.57 . . . . 25.0 112.352 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.67 -34.56 77.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.701 -0.681 . . . . 50.0 111.705 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.67 173.85 36.65 Favored Glycine 0 C--O 1.218 -0.887 0 N-CA-C 111.458 -0.657 . . . . 25.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.52 33.85 8.56 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.248 1.023 . . . . 25.0 112.396 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 119.59 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.697 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.09 175.19 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 25.0 109.724 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.0 p -66.53 160.93 24.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.57 -33.7 71.77 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -68.03 -36.41 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.818 0.342 . . . . 25.0 111.352 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.29 -34.18 70.41 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.69 0.757 . . . . 25.0 110.732 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.78 -28.69 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 121.823 -0.548 . . . . 25.0 109.791 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.3 -33.93 71.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.968 0.413 . . . . 50.0 111.563 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -53.55 -40.87 65.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.036 0.446 . . . . 25.0 111.383 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.5 mtm -82.56 -32.83 28.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.666 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.37 -41.39 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -52.89 -42.88 65.72 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -31.84 55.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.659 0.742 . . . . 50.0 112.317 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.97 -18.86 35.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.967 1.84 . . . . 25.0 115.967 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.66 135.14 43.73 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.455 1.279 . . . . 50.0 114.455 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.8 mm -113.73 117.5 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.68 -24.79 67.09 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.087 1.143 . . . . 50.0 114.087 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -74.91 -29.41 60.95 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.053 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.87 -25.52 11.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.37 19.69 79.78 Favored Glycine 0 C--O 1.241 0.543 0 N-CA-C 109.745 -1.342 . . . . 25.0 109.745 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -122.23 162.0 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.575 -0.813 . . . . 50.0 109.969 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.06 144.5 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.72 147.02 51.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -31.87 8.4 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.802 -0.359 . . . . 50.0 111.469 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.37 -49.75 57.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -73.84 -26.33 60.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.983 -1.118 . . . . 25.0 107.983 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.0 -41.47 87.74 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.95 -43.0 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.063 0.458 . . . . 50.0 110.167 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.22 -34.31 74.67 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 120.292 -0.563 . . . . 25.0 110.581 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.4 ttp -63.66 -25.07 68.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.12 0.486 . . . . 50.0 111.632 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.7 mtt -73.69 -17.41 61.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.579 -0.701 . . . . 25.0 112.151 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t -123.9 -14.68 7.11 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -141.07 159.69 41.67 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.478 -0.764 . . . . 25.0 110.211 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.253 1.289 0 N-CA-C 103.717 -2.697 . . . . 25.0 103.717 -178.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 110.422 -0.214 . . . . 25.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.79 163.46 13.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.031 0.532 . . . . 25.0 110.062 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -132.75 151.16 52.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.742 0.306 . . . . 50.0 111.033 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.62 131.01 41.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.2 p -78.55 158.19 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.021 0.438 . . . . 25.0 111.449 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.85 -33.82 73.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.39 -37.56 87.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.326 0.584 . . . . 25.0 109.944 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.19 -33.32 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.095 -0.378 . . . . 25.0 110.12 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.74 -33.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.84 81.88 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.017 -0.427 . . . . 25.0 110.372 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.59 -39.85 95.44 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.735 -0.603 . . . . 25.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -65.11 -37.73 88.39 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.297 -0.631 . . . . 50.0 109.297 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.22 -41.32 90.28 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.737 -0.211 . . . . 25.0 111.038 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.09 -41.91 97.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.973 0.416 . . . . 25.0 109.909 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.769 0.319 . . . . 25.0 110.635 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -69.87 -47.92 60.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.421 0.629 . . . . 50.0 109.942 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 t -66.3 -20.2 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -24.07 66.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.798 0.332 . . . . 50.0 111.326 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.5 -5.37 12.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.026 0.75 . . . . 50.0 113.026 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.86 77.73 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.068 -1.086 . . . . 50.0 108.068 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.25 -8.94 26.35 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.383 -0.826 . . . . 25.0 112.431 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -82.63 -28.04 31.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.8 -1.555 . . . . 50.0 106.8 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.8 2.66 69.24 Favored Glycine 0 C--N 1.328 0.095 0 CA-C-N 115.321 -0.854 . . . . 25.0 113.572 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.24 -5.96 58.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.89 35.28 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.5 p -132.33 165.14 24.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.08 164.63 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 104.208 -2.516 . . . . 50.0 104.208 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -89.22 161.2 16.56 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.3 p -59.96 -28.17 67.42 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.144 0.973 . . . . 25.0 109.922 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.61 -23.77 62.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.145 -0.934 . . . . 25.0 111.377 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.04 -3.78 40.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.921 -0.581 . . . . 50.0 112.518 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.31 -41.95 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.681 0.753 . . . . 25.0 109.131 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -30.09 76.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.612 -0.804 . . . . 50.0 112.489 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -33.07 62.37 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.237 -0.566 . . . . 25.0 111.716 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.75 -45.46 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.83 -0.804 . . . . 50.0 108.83 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -39.46 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.289 0.566 . . . . 25.0 110.289 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -64.59 -33.71 76.56 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.004 -0.435 . . . . 25.0 111.083 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -68.68 -30.45 69.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.75 4.73 13.02 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.872 0.469 . . . . 25.0 110.561 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.36 -4.39 62.17 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -136.49 131.25 33.72 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.899 1.35 . . . . 25.0 111.967 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -83.07 133.77 47.54 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 106.896 -1.52 . . . . 50.0 106.896 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.49 168.23 21.67 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 118.041 -0.839 . . . . 50.0 111.465 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.56 146.9 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -29.02 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.83 97.03 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.954 0.406 . . . . 25.0 110.769 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.57 -41.34 93.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.02 -40.67 96.48 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.31 -48.25 82.32 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.522 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -68.02 -35.12 77.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.557 -0.457 . . . . 25.0 111.254 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.17 -29.47 68.35 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 120.846 0.355 . . . . 50.0 111.541 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -79.63 -36.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.12 -39.69 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.12 -0.362 . . . . 25.0 111.711 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -70.71 -21.55 62.55 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.294 -0.879 . . . . 25.0 112.555 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.13 -38.46 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.84 -12.49 61.59 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.073 -0.512 . . . . 50.0 110.309 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.95 79.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.16 -27.54 19.51 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.31 66.29 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 117.331 1.692 . . . . 25.0 117.331 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.87 -29.87 69.89 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.783 1.292 . . . . 25.0 113.744 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.5 -4.1 21.94 Favored Glycine 0 C--O 1.246 0.851 0 C-N-CA 121.215 -0.517 . . . . 25.0 113.989 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 167.7 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.21 -2.144 . . . . 25.0 105.21 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.64 112.88 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.917 -1.882 . . . . 25.0 105.917 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.71 172.0 13.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.52 -1.289 . . . . 50.0 107.52 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.34 -45.75 78.23 Favored Pre-proline 0 C--N 1.315 -0.918 0 C-N-CA 119.754 -0.778 . . . . 25.0 112.901 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -61.77 -31.89 85.87 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 114.323 -3.318 . . . . 25.0 114.464 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.671 -0.643 . . . . 50.0 109.476 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -61.39 -41.41 97.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.11 -36.2 81.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.201 -0.312 . . . . 25.0 110.517 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -64.29 -38.27 90.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.9 ttm -65.2 -25.15 67.58 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.063 -0.398 . . . . 25.0 111.019 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -73.95 -34.06 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 120.948 -1.095 . . . . 50.0 108.978 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.67 -19.99 65.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.962 0.41 . . . . 25.0 111.117 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -54.93 -34.24 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.193 0.521 . . . . 25.0 111.234 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -91.5 -5.13 54.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.244 -0.435 . . . . 25.0 112.088 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.9 ttp -80.14 -17.85 51.39 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 112.597 0.592 . . . . 50.0 112.597 -177.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 72.87 -158.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 125.02 1.328 . . . . 25.0 111.576 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.41 162.64 36.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 102.824 -3.028 . . . . 25.0 102.824 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t 44.39 38.71 2.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.124 1.527 . . . . 25.0 115.124 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -53.69 -28.33 32.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.665 1.728 . . . . 25.0 115.665 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -56.31 -31.96 64.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.037 0.384 . . . . 25.0 112.037 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -83.49 -32.72 25.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.555 0.693 . . . . 25.0 111.456 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -89.82 -32.04 17.1 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.85 -34.61 74.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 119.005 0.821 . . . . 25.0 111.828 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.66 -41.22 89.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.901 0.858 . . . . 25.0 108.938 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -83.83 -31.79 25.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -89.46 -37.54 14.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.37 83.58 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -174.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.36 -23.93 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.744 -0.597 . . . . 25.0 112.142 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -68.99 -27.99 66.2 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.33 -17.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.591 -0.443 . . . . 25.0 109.921 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -95.54 -18.23 20.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.062 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -83.48 83.15 7.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 173.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.97 -42.73 49.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -119.52 9.45 11.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -172.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.28 38.26 26.01 Favored Glycine 0 N--CA 1.464 0.528 0 C-N-CA 120.578 -0.82 . . . . 25.0 112.457 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -76.43 -23.88 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.4 -3.58 81.99 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 111.665 -0.574 . . . . 25.0 111.665 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -138.9 159.66 41.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 pt -135.43 161.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 t -67.22 143.26 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.04 -22.83 67.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.793 0.33 . . . . 25.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.42 91.06 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.01 -28.49 57.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.344 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.02 -45.26 94.39 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.413 -1.328 . . . . 50.0 107.413 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -62.97 -36.69 84.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.457 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.67 -46.91 87.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.62 -46.64 95.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.895 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.5 mtt -62.33 -39.31 92.63 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.762 1.023 . . . . 50.0 113.762 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 t -75.81 -17.95 59.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.664 -0.648 . . . . 25.0 110.922 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -81.64 0.46 38.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -93.55 5.98 49.77 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.176 -0.676 . . . . 50.0 109.176 175.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.34 160.18 34.3 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.84 -0.618 . . . . 25.0 114.638 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.18 150.35 47.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -115.87 163.71 15.47 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -71.5 -42.34 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 25.0 110.924 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -121.07 156.64 31.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.005 -0.543 . . . . 25.0 109.74 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -65.08 -30.15 71.08 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.292 -0.633 . . . . 50.0 109.292 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.15 -32.76 66.71 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.34 -24.68 67.73 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.926 0.393 . . . . 25.0 111.566 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.13 -43.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.11 -38.27 82.5 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.011 -0.995 . . . . 50.0 111.855 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -65.39 -30.62 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 77.8 mtm -69.93 -31.05 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -78.73 -39.37 22.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.41 -25.52 67.25 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.68 -27.38 63.97 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.649 -0.421 . . . . 50.0 111.832 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.43 145.02 26.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.218 0.532 . . . . 25.0 110.811 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.83 138.78 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.492 -1.67 . . . . 50.0 106.492 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.7 tt -81.48 107.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.141 0.972 . . . . 25.0 111.643 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.03 140.74 58.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.261 -0.881 . . . . 50.0 113.177 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -16.75 79.14 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.637 -0.711 . . . . 25.0 113.341 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -77.25 -12.18 59.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 25.0 111.469 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 4.97 89.46 Favored Glycine 0 C--O 1.237 0.298 0 C-N-CA 120.98 -0.629 . . . . 25.0 112.359 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -121.09 154.6 35.92 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 106.016 -1.846 . . . . 50.0 106.016 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.2 148.94 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.279 0.362 . . . . 25.0 110.091 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -76.35 104.68 6.98 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 122.296 1.046 . . . . 50.0 110.82 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.37 -28.78 64.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.781 1.771 . . . . 50.0 115.781 -171.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.52 -40.96 96.6 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.571 -0.852 . . . . 25.0 111.983 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -74.24 -33.04 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -37.55 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.563 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.32 -42.07 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.351 -0.611 . . . . 50.0 109.351 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.56 -40.0 92.34 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.983 -0.287 . . . . 25.0 110.261 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.4 ttp -63.91 -39.8 95.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.124 0.488 . . . . 50.0 110.699 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 tpp -66.4 -16.62 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.8 p -111.74 24.42 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.802 0.334 . . . . 25.0 111.239 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.22 -165.56 0.59 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.023 0.44 . . . . 25.0 110.769 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.3 pttt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.034 -1.936 . . . . 25.0 107.671 -179.227 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.71 172.26 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -68.33 -12.61 61.36 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.751 1.019 . . . . 50.0 113.751 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 tp -144.4 137.49 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.721 -1.955 . . . . 25.0 105.721 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.3 p -111.18 158.66 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.029 0.442 . . . . 25.0 109.916 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.28 -21.6 66.28 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.927 0.394 . . . . 25.0 110.367 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.25 -42.79 99.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.08 -34.88 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.415 0.626 . . . . 25.0 109.836 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.39 -35.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.133 -0.355 . . . . 25.0 110.723 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.02 -42.5 99.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.64 -35.72 79.43 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.23 -0.294 . . . . 50.0 110.565 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.46 -38.38 81.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.463 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.11 86.13 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.982 0.42 . . . . 25.0 110.371 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.33 -45.39 73.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 t -65.98 -21.62 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -25.86 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 50.0 110.704 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.33 -14.69 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.436 . . . . 50.0 112.044 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -81.56 77.25 8.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.341 -1.355 . . . . 50.0 107.341 173.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -69.35 -16.98 63.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.073 -1.422 . . . . 25.0 112.556 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -97.11 -27.87 14.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.331 0.586 . . . . 50.0 111.2 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.14 64.06 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.36 -0.836 . . . . 25.0 113.574 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.38 0.36 57.44 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.373 0.606 . . . . 25.0 111.423 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 25.52 52.61 Favored Glycine 0 C--O 1.234 0.14 0 CA-C-O 119.732 -0.482 . . . . 25.0 113.563 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.0 p -133.91 158.68 42.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.345 0.573 . . . . 25.0 112.386 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 pt -138.91 167.04 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.335 -1.728 . . . . 50.0 106.335 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 p -86.59 160.81 18.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -60.3 -31.1 69.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.593 0.711 . . . . 25.0 110.724 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.189 -0.459 . . . . 25.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HA ' ' HG1' ' A' ' 34' ' ' THR . 1.0 OUTLIER -77.24 -11.48 59.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -178.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.59 -40.38 75.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.58 95.61 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.728 -0.749 . . . . 50.0 111.441 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.525 ' HG1' ' HA ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -67.59 -38.18 83.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.16 -0.612 . . . . 25.0 112.212 -178.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.59 -47.03 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -63.01 -41.39 99.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 25.0 109.907 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.2 -23.88 67.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.948 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -66.0 -23.06 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.342 -0.224 . . . . 25.0 111.017 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.53 13.31 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 25.0 109.804 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 -4.16 86.11 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 114.988 0.755 . . . . 25.0 114.988 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.91 123.04 30.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.28 92.1 16.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 121.272 0.558 . . . . 50.0 109.737 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.35 169.36 20.2 Favored 'Trans proline' 0 C--O 1.237 0.427 0 N-CA-C 109.64 -0.946 . . . . 50.0 109.64 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -67.43 156.07 37.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.7 -25.33 67.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.933 -0.48 . . . . 25.0 110.37 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.89 -47.34 72.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.81 -39.28 93.33 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.67 -44.22 96.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.573 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.53 -42.88 77.84 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 121.111 -0.236 . . . . 25.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 25.0 111.352 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -66.4 -30.98 71.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.024 -0.422 . . . . 50.0 111.281 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.73 -37.02 54.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.17 -34.49 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.724 -0.61 . . . . 25.0 109.829 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.51 -6.02 33.1 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -122.69 -43.06 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.937 0.399 . . . . 25.0 111.681 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.27 55.85 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.465 0.65 . . . . 50.0 112.203 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -30.96 72.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.125 0.488 . . . . 25.0 109.81 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -91.92 -15.72 27.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.806 0.812 . . . . 50.0 110.917 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.53 37.08 41.76 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.207 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -64.18 -29.08 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.06 2.72 90.6 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.571 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -134.0 153.84 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -133.95 126.66 50.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.72 171.55 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.072 0.939 . . . . 50.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -66.91 -43.94 49.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.9 -26.24 59.39 Favored 'Trans proline' 0 C--N 1.357 1.021 1 C-N-CA 112.441 -4.573 . . . . 25.0 113.443 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -71.4 -42.02 68.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.05 -43.78 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 25.0 109.637 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.2 -39.65 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.69 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -64.29 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.748 -0.205 . . . . 25.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.2 mtp -59.74 -43.13 94.38 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.969 -0.457 . . . . 25.0 109.861 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.79 -42.29 77.55 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.611 -0.436 . . . . 50.0 110.396 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.3 74.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 25.0 111.031 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.75 -41.8 68.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.506 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -70.05 -23.35 63.08 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.05 10.65 2.21 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.336 0.865 . . . . 50.0 113.336 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -109.46 124.19 50.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.38 154.32 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.794 0.683 . . . . 25.0 109.171 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 p -123.1 115.74 22.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.576 0.703 . . . . 25.0 111.636 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -36.26 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.956 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 76.9 p -60.37 -38.04 82.62 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.043 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -83.28 -31.63 26.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -69.57 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.82 -37.54 82.36 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.154 0.502 . . . . 25.0 109.783 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.59 -39.88 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.957 -0.756 . . . . 25.0 108.957 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.77 -34.36 78.0 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.114 -0.366 . . . . 25.0 110.754 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.05 -35.25 73.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.655 0.264 . . . . 25.0 111.208 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.36 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.962 0.411 . . . . 25.0 111.221 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -86.55 -25.12 25.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.755 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -65.71 -15.9 63.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.5 0.555 . . . . 25.0 112.5 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -65.3 -20.48 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -108.17 3.36 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 25.0 111.762 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -78.82 146.18 33.86 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -85.38 -49.98 7.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -133.66 9.01 3.91 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.75 25.78 10.39 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.579 -1.008 . . . . 25.0 110.579 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.79 -8.41 58.74 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -0.72 83.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 117.406 1.722 . . . . 25.0 117.406 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.04 146.07 40.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.984 0.892 . . . . 25.0 112.003 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.99 158.17 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 35.9 t -59.42 140.84 55.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.36 -28.29 69.66 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.442 0.639 . . . . 25.0 110.266 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -69.48 -39.22 77.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -33.45 73.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.618 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.63 -38.66 78.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 50.0 110.69 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -61.48 -33.32 73.57 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 25.0 110.571 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -68.42 -39.66 81.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.7 t -67.18 -44.32 87.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -23.67 67.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.623 1.342 . . . . 50.0 114.623 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.7 t -94.92 0.72 54.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.083 0.401 . . . . 25.0 112.083 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -62.43 -14.75 44.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.6 mt -84.09 -14.78 49.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.03 0.443 . . . . 50.0 110.688 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.48 169.24 11.84 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 108.158 -1.977 . . . . 25.0 108.158 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.2 128.14 34.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -75.08 140.19 43.31 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.6 -43.82 88.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.53 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.0 p -119.01 140.65 49.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.24 -30.9 70.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 174.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -54.24 -35.77 62.84 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.838 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.2 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 25.0 110.557 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.35 -41.67 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.56 -32.9 74.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 50.0 112.643 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -33.77 73.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.064 0.393 . . . . 25.0 110.736 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 69.8 mtm -75.18 -29.53 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.477 -0.764 . . . . 50.0 110.982 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.52 -29.09 18.22 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -58.38 -32.43 68.59 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.295 0.638 . . . . 25.0 112.29 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.52 -42.24 30.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.853 0.359 . . . . 50.0 110.124 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.27 62.98 5.58 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.09 8.03 2.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.34 1.978 . . . . 50.0 116.34 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.7 96.69 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 122.152 0.977 . . . . 25.0 113.303 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.52 5.07 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.472 0.915 . . . . 50.0 113.472 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -36.27 -54.28 1.27 Allowed Glycine 0 N--CA 1.466 0.691 0 N-CA-C 117.997 1.959 . . . . 25.0 117.997 -174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -126.0 17.35 7.89 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.26 10.96 85.8 Favored Glycine 0 C--O 1.244 0.733 0 CA-C-N 115.101 -0.954 . . . . 25.0 114.383 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.09 153.83 33.09 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 117.486 0.643 . . . . 50.0 112.693 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.23 148.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -78.57 110.23 13.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.042 0.925 . . . . 50.0 111.514 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.12 -20.68 64.05 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.582 -0.736 . . . . 50.0 112.422 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.941 -0.475 . . . . 25.0 111.097 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.24 -35.39 76.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.18 -35.08 77.47 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.667 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.56 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.913 -1.143 . . . . 50.0 107.913 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -64.32 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 25.0 111.103 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.34 -39.12 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.504 . . . . 50.0 111.932 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.7 mtt -82.6 -6.99 59.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t -109.87 11.15 24.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.13 -169.23 0.9 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.817 0.817 . . . . 25.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt . . . . . 0 C--O 1.247 0.961 0 CA-C-O 116.679 -1.629 . . . . 25.0 109.504 -174.506 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.54 153.68 43.12 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.84 161.5 42.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.077 -1.082 . . . . 50.0 108.077 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 mp -97.95 141.22 31.18 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 103.68 -2.711 . . . . 25.0 103.68 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -129.51 167.15 18.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.42 -20.43 65.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.89 0.376 . . . . 25.0 110.395 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.82 -39.59 91.0 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -73.41 -34.24 65.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.82 -36.31 76.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.52 86.99 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.317 -0.239 . . . . 25.0 111.524 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.78 -39.92 84.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.579 0.704 . . . . 25.0 110.933 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -65.56 -36.73 84.65 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.486 -0.759 . . . . 50.0 109.532 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -75.59 -36.98 60.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.11 -41.05 86.86 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.797 -0.564 . . . . 25.0 109.927 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.08 85.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 25.0 110.361 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -65.68 -50.34 65.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 50.0 109.986 177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -66.13 -19.73 65.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.949 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.43 -35.05 76.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.583 0.706 . . . . 50.0 111.297 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -102.79 -9.6 19.83 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.315 -0.857 . . . . 50.0 112.671 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -82.01 85.77 6.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.483 -1.303 . . . . 50.0 107.483 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -68.73 -30.24 68.83 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 114.504 1.298 . . . . 25.0 114.504 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.3 -25.02 17.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.563 0.697 . . . . 50.0 112.272 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.72 14.83 59.08 Favored Glycine 0 CA--C 1.51 -0.275 0 CA-C-N 115.354 -0.839 . . . . 25.0 113.028 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -73.71 -11.31 60.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.188 0.518 . . . . 25.0 112.373 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.72 21.99 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -135.46 157.21 47.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.661 0.743 . . . . 25.0 112.538 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -134.21 173.19 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 103.354 -2.832 . . . . 50.0 103.354 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 p -99.21 161.5 13.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.786 -1.191 . . . . 25.0 107.786 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -54.84 -44.02 73.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.079 0.466 . . . . 25.0 111.944 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -65.54 -28.87 69.47 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.12 -16.38 53.19 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.728 0.299 . . . . 50.0 111.133 -175.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.57 -37.46 78.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.445 0.64 . . . . 25.0 109.974 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.91 -27.78 70.84 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.544 -0.836 . . . . 50.0 112.064 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -35.75 31.64 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.498 -1.001 . . . . 25.0 111.635 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.4 -46.17 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.694 -0.854 . . . . 50.0 108.694 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.21 -38.56 83.7 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 120.973 0.416 . . . . 25.0 111.043 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.89 -35.09 77.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.798 -0.564 . . . . 25.0 111.051 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -67.5 -27.27 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.359 -0.213 . . . . 25.0 110.958 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.33 -0.11 9.35 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.47 72.54 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 117.995 1.958 . . . . 25.0 117.995 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -142.75 138.77 30.72 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 118.609 1.204 . . . . 25.0 111.002 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -85.39 128.43 59.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 107.566 -1.272 . . . . 50.0 107.566 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.45 173.94 13.07 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 118.166 -0.756 . . . . 50.0 111.602 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.91 138.38 42.34 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.82 -25.58 64.75 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -64.4 0.87 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.925 0.393 . . . . 25.0 111.808 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.2 -28.6 69.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.379 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -36.7 84.9 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.98 -42.2 73.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.1 -33.73 76.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.502 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.7 mtt -59.57 -29.34 67.87 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -75.76 -32.36 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 122.184 -0.322 . . . . 25.0 110.874 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.18 -37.29 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 121.147 0.499 . . . . 25.0 111.171 -176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.83 -27.78 66.92 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -98.58 -29.71 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.497 0.665 . . . . 25.0 110.294 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.2 -21.54 59.63 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.87 -0.519 . . . . 50.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.13 69.85 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.49 -27.11 61.21 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 122.351 1.072 . . . . 50.0 110.48 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.56 88.92 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.918 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -70.6 -26.32 63.45 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.01 12.11 83.55 Favored Glycine 0 CA--C 1.52 0.377 0 O-C-N 121.74 -0.6 . . . . 25.0 112.136 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -133.99 168.85 18.03 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -128.18 113.69 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.3 167.91 19.01 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.812 0.815 . . . . 50.0 109.608 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -60.29 -45.14 97.6 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 114.776 1.399 . . . . 25.0 114.776 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.79 -33.29 76.68 Favored 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 112.888 -4.275 . . . . 25.0 114.835 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -69.96 -34.45 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.718 0.77 . . . . 50.0 109.778 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.84 -38.74 92.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.692 -0.685 . . . . 25.0 109.357 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.52 -32.76 71.79 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.841 -0.537 . . . . 25.0 110.875 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.0 m -61.05 -34.72 75.32 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.7 mtt -60.97 -26.5 67.6 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.44 -0.787 . . . . 25.0 111.215 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -87.54 -7.63 57.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.747 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.77 68.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.064 0.146 . . . . 25.0 111.364 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -55.37 -34.18 64.08 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.714 0.292 . . . . 25.0 111.345 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -72.21 -24.38 61.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.351 0.5 . . . . 25.0 112.351 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.0 ttm -96.36 -4.84 41.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.943 -0.571 . . . . 50.0 109.847 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.4 tttt 68.31 114.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.081 1.752 . . . . 25.0 113.028 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.26 154.02 18.89 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.194 -1.78 . . . . 25.0 106.194 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -86.5 -31.37 21.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -80.99 -42.61 20.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.536 . . . . 25.0 109.554 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.4 t -61.96 -33.12 73.7 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.855 0.836 . . . . 25.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.01 -45.06 96.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.752 -0.832 . . . . 25.0 108.752 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -73.54 -28.13 61.71 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 -47.44 86.31 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 118.772 0.715 . . . . 25.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.7 -39.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.227 1.013 . . . . 25.0 109.187 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -63.85 -26.64 68.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.164 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.52 -39.15 67.34 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.122 0.415 . . . . 25.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.16 -27.86 68.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.14 0.495 . . . . 25.0 112.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -91.04 -19.65 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.672 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -62.66 -33.66 75.49 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.216 0.531 . . . . 25.0 111.527 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.47 -16.68 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 116.144 -0.48 . . . . 25.0 112.116 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -98.24 -10.58 23.79 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.722 0.296 . . . . 25.0 110.933 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.1 115.73 20.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.39 -42.15 79.48 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.32 4.08 5.17 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.14 36.24 11.33 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -87.91 -18.59 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.1 -0.99 87.73 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 112.161 -0.376 . . . . 25.0 112.161 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -120.06 141.26 49.92 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.742 0.817 . . . . 25.0 109.972 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -138.87 165.29 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.2 t -71.5 152.45 43.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.17 66.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.5 97.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.516 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -71.39 -36.12 71.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.176 0.513 . . . . 25.0 109.764 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.14 -45.94 89.55 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -60.03 -40.56 89.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.674 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.457 ' CE1' HD22 ' A' ' 111' ' ' ASN . 32.4 t60 -57.42 -52.01 67.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 119.369 -0.348 . . . . 25.0 110.544 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.2 -43.48 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.201 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 29.7 mtt -60.95 -39.18 88.54 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.162 -0.336 . . . . 50.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -67.05 -35.15 79.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.457 HD22 ' CE1' ' A' ' 107' ' ' HIS . 85.1 m-20 -69.87 -24.33 63.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.819 0.342 . . . . 25.0 111.829 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.5 -14.85 22.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 50.0 112.136 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.47 144.4 25.58 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 120.913 -0.661 . . . . 25.0 111.635 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -130.92 -32.04 1.67 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -129.16 176.7 7.7 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -174.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -162.62 0.22 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.146 1.378 . . . . 25.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 t -101.59 152.56 20.66 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.805 0.442 . . . . 25.0 110.687 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.75 -23.35 67.15 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.287 0.565 . . . . 50.0 111.538 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -68.44 -24.45 64.73 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.752 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.64 -35.45 75.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.8 -39.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -66.04 -32.33 73.74 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 112.481 0.548 . . . . 50.0 112.481 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -66.5 -34.71 78.53 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.946 -0.471 . . . . 25.0 110.073 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 75.8 mtm -66.42 -34.76 78.67 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 120.963 -1.086 . . . . 50.0 109.764 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.22 -32.1 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -68.49 -37.87 80.49 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.997 0.519 . . . . 25.0 111.873 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.23 -21.99 61.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.607 0.718 . . . . 50.0 111.483 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.98 138.71 32.98 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.94 134.4 52.9 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.985 -1.117 . . . . 50.0 107.985 174.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.5 mt -119.47 128.16 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 105.276 -2.12 . . . . 25.0 105.276 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -71.16 161.83 30.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.181 -0.303 . . . . 50.0 110.181 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.82 -23.4 61.14 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 114.614 0.605 . . . . 25.0 114.614 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -83.55 6.31 20.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 25.0 111.764 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 31.69 58.8 Favored Glycine 0 C--O 1.24 0.495 0 C-N-CA 121.489 -0.386 . . . . 25.0 112.224 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -120.15 156.92 30.11 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.77 156.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -94.01 106.62 18.59 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.276 -0.639 . . . . 50.0 109.276 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -71.33 -21.05 62.1 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.947 -0.471 . . . . 50.0 111.748 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.53 -37.99 76.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.44 0.638 . . . . 25.0 110.031 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.48 94.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.557 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.07 -43.53 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.75 -0.463 . . . . 50.0 109.75 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -40.4 95.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.098 0.475 . . . . 25.0 110.326 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 tpp -57.83 -30.64 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.825 0.676 . . . . 50.0 112.825 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 mtt -70.76 -11.55 61.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t -135.23 10.33 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.9 158.78 20.48 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.229 1.412 . . . . 25.0 112.996 174.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.11 -33.09 73.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 122.52 1.153 . . . . 25.0 107.935 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -108.11 139.44 42.76 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 103.488 -2.782 . . . . 50.0 103.488 171.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -65.28 144.65 57.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -116.39 158.79 22.94 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.975 -1.12 . . . . 25.0 107.975 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.86 -27.18 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.1 -42.79 99.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.604 -0.271 . . . . 25.0 111.683 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.2 -22.12 49.05 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 119.654 -0.818 . . . . 25.0 110.032 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -71.13 -38.48 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.4 87.8 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -60.39 -43.15 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.437 0.637 . . . . 25.0 109.707 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.92 -38.74 89.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -63.81 -40.73 97.34 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.747 -0.595 . . . . 25.0 111.089 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.78 -35.0 79.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 25.0 110.466 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -70.21 -46.55 64.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.653 0.739 . . . . 50.0 109.622 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 t -68.84 -19.65 64.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -25.38 67.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.371 . . . . 50.0 111.201 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -112.96 -8.11 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.994 -0.548 . . . . 50.0 111.732 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.44 80.3 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.814 1.292 . . . . 50.0 107.874 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -71.18 -16.54 62.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.172 -1.376 . . . . 25.0 112.683 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.92 -28.19 13.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 50.0 111.695 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.1 59.89 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-N 115.252 -0.885 . . . . 25.0 114.594 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.25 -12.28 59.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.64 21.47 50.79 Favored Glycine 0 C--O 1.243 0.677 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.13 167.01 21.75 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.073 0.549 . . . . 25.0 109.706 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -135.46 164.52 32.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 104.88 -2.267 . . . . 50.0 104.88 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -79.45 158.38 27.31 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 p -55.92 -35.32 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 25.0 112.183 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.54 -25.56 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.72 -9.95 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.089 0.471 . . . . 50.0 111.957 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.72 -38.74 70.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.412 0.625 . . . . 25.0 110.746 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.2 -26.41 74.15 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.752 -0.737 . . . . 50.0 112.998 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -40.1 19.66 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.256 -0.556 . . . . 25.0 111.211 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.59 -46.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.762 0.315 . . . . 50.0 110.761 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.6 mtt -64.72 -36.8 85.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.587 -0.696 . . . . 25.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -60.9 -35.63 77.17 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 t -68.98 -21.78 64.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -86.39 5.85 32.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.401 0.619 . . . . 25.0 109.852 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.92 66.17 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -145.02 123.17 12.15 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 118.841 1.32 . . . . 25.0 110.872 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -87.82 150.44 48.04 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.293 -1.003 . . . . 50.0 108.293 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.17 167.3 26.2 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 117.601 -1.133 . . . . 50.0 109.567 175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -72.35 160.8 31.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.731 -1.951 . . . . 25.0 105.731 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -62.01 -32.62 73.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.17 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.411 0.148 . . . . 25.0 110.896 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.11 -46.09 92.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.117 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.22 -42.65 93.23 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.933 -0.307 . . . . 25.0 111.142 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.85 -43.24 96.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.801 0.334 . . . . 25.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.43 -30.77 71.6 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.249 0.547 . . . . 50.0 111.73 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.0 mt -69.36 -39.52 78.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.69 -33.14 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.335 -0.228 . . . . 25.0 110.855 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -55.44 -38.99 69.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.076 0.398 . . . . 25.0 111.336 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -93.73 -37.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -65.67 -14.57 61.5 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.679 -0.638 . . . . 50.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.66 96.72 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.699 -0.228 . . . . 25.0 111.157 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.68 -24.27 17.93 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.026 -1.101 . . . . 50.0 108.026 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.2 22.18 38.97 Favored Glycine 0 N--CA 1.454 -0.159 0 N-CA-C 115.801 1.08 . . . . 25.0 115.801 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.5 -29.6 69.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.588 1.194 . . . . 25.0 111.697 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.12 26.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 114.827 0.691 . . . . 25.0 114.827 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p -129.09 150.04 50.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.086 0.554 . . . . 25.0 109.951 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.17 124.52 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.05 170.97 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.331 1.062 . . . . 50.0 110.154 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -64.53 -45.87 77.04 Favored Pre-proline 0 CA--C 1.545 0.771 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.78 -23.42 48.28 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 112.85 -4.3 . . . . 25.0 114.123 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.93 -39.84 72.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.404 -0.961 . . . . 50.0 108.404 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.8 -43.23 80.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.29 -33.18 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.161 -0.337 . . . . 25.0 111.253 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 m -65.94 -38.3 88.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.133 -0.354 . . . . 25.0 110.988 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.64 -35.67 62.86 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.361 -0.837 . . . . 50.0 109.186 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.4 67.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -63.03 -36.14 82.58 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 119.168 -1.013 . . . . 25.0 109.993 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.96 -18.62 62.61 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.565 0.698 . . . . 25.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.5 mtt -86.5 -7.38 58.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 50.0 112.239 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -96.23 -19.81 19.04 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.36 151.26 44.28 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.33 104.98 6.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.82 0.819 . . . . 25.0 110.63 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -60.38 -34.11 73.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.46 -0.791 . . . . 25.0 110.915 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.8 t -59.08 -28.48 66.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -94.88 -40.85 9.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.722 -0.474 . . . . 25.0 109.722 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.92 -34.13 77.28 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.41 -43.0 88.44 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.845 0.748 . . . . 25.0 110.017 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.5 -41.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.741 0.781 . . . . 25.0 108.953 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.79 -44.65 92.72 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.452 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.11 -43.46 95.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.594 0.634 . . . . 25.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.39 -36.44 71.28 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.262 -0.426 . . . . 25.0 112.073 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -86.47 -38.67 17.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.04 -11.22 60.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.11 -18.33 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -107.13 9.26 30.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.931 0.492 . . . . 25.0 111.544 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.17 104.62 3.13 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.452 0.644 . . . . 25.0 110.141 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.36 -49.75 71.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 115.589 1.7 . . . . 25.0 115.589 -172.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -119.55 8.24 11.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.218 0.532 . . . . 25.0 110.584 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.06 20.42 79.69 Favored Glycine 0 C--O 1.236 0.227 0 N-CA-C 109.996 -1.242 . . . . 25.0 109.996 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -109.88 12.57 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.31 8.69 70.98 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 120.834 -0.698 . . . . 25.0 114.434 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -116.91 141.72 47.87 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.473 0.636 . . . . 25.0 111.515 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 pt -126.79 163.43 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -74.35 148.8 40.97 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.82 66.24 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.338 0.59 . . . . 25.0 110.575 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.36 74.14 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.952 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.86 -29.33 63.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.104 0.478 . . . . 25.0 111.613 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.26 -37.43 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.99 -0.55 . . . . 50.0 110.286 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.08 -26.31 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -68.97 -37.94 79.09 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 118.318 -1.353 . . . . 25.0 107.871 178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -59.81 -47.39 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -172.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.54 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.941 1.089 . . . . 50.0 113.941 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -82.4 -13.09 57.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.462 0.541 . . . . 25.0 112.462 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -93.04 -25.86 17.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.776 0.322 . . . . 25.0 111.28 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.93 -2.73 27.22 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.856 0.687 . . . . 50.0 112.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.22 160.31 32.46 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 119.859 -1.162 . . . . 25.0 114.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.09 47.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.32 134.49 38.5 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 106.316 -1.735 . . . . 25.0 106.316 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.66 -19.41 13.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 117.387 2.365 . . . . 25.0 117.387 -172.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -122.56 141.94 51.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.623 0.647 . . . . 25.0 110.602 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -64.46 -36.81 85.4 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.953 -0.567 . . . . 50.0 111.605 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.17 -27.43 68.4 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.98 -33.1 59.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.674 0.75 . . . . 25.0 109.184 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.14 -35.3 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.407 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.23 -42.42 81.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.678 -0.692 . . . . 50.0 112.29 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.34 -28.69 69.47 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.6 ttm -73.08 -41.99 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.699 0.761 . . . . 50.0 109.763 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.55 -42.1 94.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.74 -26.61 35.2 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.16 -26.16 61.09 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.568 0.951 . . . . 50.0 113.568 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.92 15.35 2.67 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.788 2.514 . . . . 25.0 117.788 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.3 142.44 27.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.771 1.169 . . . . 50.0 112.839 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.5 mt -130.9 115.62 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.43 -1.29 45.16 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -48.71 -42.43 28.28 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.09 9.63 7.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.759 0.79 . . . . 25.0 109.5 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.66 15.93 73.74 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.219 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -117.92 152.23 35.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.613 0.365 . . . . 50.0 110.27 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.9 143.84 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -87.21 114.64 23.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -70.39 -17.32 63.03 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.154 -0.475 . . . . 50.0 111.193 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.29 -44.57 88.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.16 -23.94 47.47 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.592 -0.693 . . . . 25.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -34.01 69.21 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.63 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -59.43 -40.09 85.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.7 ttm -64.97 -43.98 90.87 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.057 0.456 . . . . 50.0 110.882 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 61.2 mtt -72.02 -12.5 61.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p -107.2 15.76 24.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.117 0.484 . . . . 25.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 155.12 39.51 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.271 0.557 . . . . 25.0 109.761 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.751 -1.119 . . . . 25.0 110.494 -179.408 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.42 147.9 52.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 116.495 2.035 . . . . 25.0 116.495 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 49.19 61.14 3.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.36 2.356 . . . . 50.0 117.36 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -79.65 118.4 21.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -131.01 178.34 6.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.893 0.377 . . . . 25.0 110.541 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -65.07 -20.55 66.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.42 -40.97 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.068 -0.395 . . . . 25.0 110.485 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -69.76 -34.61 74.02 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.874 -0.516 . . . . 25.0 109.864 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -65.57 -38.19 81.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.8 96.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.093 -0.336 . . . . 25.0 110.093 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.59 -40.85 98.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.957 0.408 . . . . 25.0 110.294 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.73 -34.13 76.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.516 -0.55 . . . . 50.0 109.516 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.78 -35.72 62.54 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.551 -0.46 . . . . 25.0 112.148 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.54 75.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.923 0.392 . . . . 25.0 111.36 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.72 -45.76 42.05 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.402 0.62 . . . . 50.0 110.148 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -68.5 -14.88 63.31 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.173 0.589 . . . . 25.0 112.092 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.08 -25.03 65.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.406 0.622 . . . . 50.0 109.577 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.4 -26.2 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.02 -0.991 . . . . 50.0 113.088 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -78.41 85.97 4.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.661 0.743 . . . . 50.0 109.128 174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.04 -5.18 34.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.86 -25.69 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.221 0.534 . . . . 50.0 109.9 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.9 21.19 37.03 Favored Glycine 0 N--CA 1.453 -0.186 0 CA-C-N 115.879 -0.6 . . . . 25.0 114.36 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -91.35 -9.88 43.27 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.412 0.606 . . . . 25.0 112.314 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.5 10.5 79.56 Favored Glycine 0 C--O 1.241 0.573 0 C-N-CA 121.241 -0.504 . . . . 25.0 113.63 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -124.27 165.47 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -137.58 165.52 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.22 -2.511 . . . . 50.0 104.22 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.2 p -83.98 160.36 21.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -58.77 -31.44 68.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.77 0.795 . . . . 25.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.58 -37.53 86.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.827 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -73.87 -8.69 57.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.516 0.561 . . . . 50.0 112.516 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.59 -37.58 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 25.0 110.588 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.29 97.83 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 120.535 -0.841 . . . . 50.0 111.826 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -41.62 58.66 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.686 -0.303 . . . . 25.0 111.708 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.98 -44.62 88.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 N-CA-C 110.553 -0.166 . . . . 50.0 110.553 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.65 -35.33 77.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.041 -1.037 . . . . 25.0 109.345 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -67.63 -27.69 67.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.5 p -73.07 -15.87 61.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.794 0.725 . . . . 25.0 111.591 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.21 -7.16 50.24 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.229 0.538 . . . . 25.0 109.963 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.18 -5.02 78.18 Favored Glycine 0 C--O 1.229 -0.181 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.233 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -139.3 123.13 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -94.98 144.94 28.65 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.52 172.22 16.62 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 117.496 -1.203 . . . . 50.0 109.741 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.05 146.63 54.13 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.32 -25.82 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.51 57.46 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.75 -27.82 65.26 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.34 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.3 -41.03 98.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -71.12 -38.96 72.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -58.29 -44.54 88.54 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.771 0.319 . . . . 25.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtt -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.825 0.345 . . . . 50.0 111.891 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.25 -41.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.84 -35.86 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 110.239 -0.282 . . . . 25.0 110.239 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.94 -33.42 73.15 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 122.327 -0.233 . . . . 25.0 111.103 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -89.29 -31.66 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.059 0.457 . . . . 25.0 111.501 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.93 -10.09 8.66 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.069 -0.394 . . . . 50.0 111.451 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.64 73.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.407 0.283 . . . . 25.0 110.698 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.36 -26.88 24.59 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.96 0.886 . . . . 50.0 109.676 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.74 9.24 87.25 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.2 -0.909 . . . . 25.0 114.94 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.74 -28.26 67.49 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.55 7.43 87.15 Favored Glycine 0 C--O 1.243 0.672 0 C-N-CA 121.522 -0.37 . . . . 25.0 113.464 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.1 p -129.22 162.42 27.88 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.1 mt -132.55 121.29 44.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 102.922 -2.992 . . . . 25.0 102.922 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.03 177.95 5.91 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.83 -43.82 99.52 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 115.246 1.573 . . . . 25.0 115.246 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 -30.28 28.62 Favored 'Trans proline' 0 C--N 1.357 1.001 1 C-N-CA 113.146 -4.102 . . . . 25.0 115.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.42 -36.56 79.26 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.602 1.092 . . . . 50.0 108.77 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.88 -41.09 95.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.05 -35.4 71.92 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 122.259 -0.276 . . . . 25.0 111.674 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.3 m -59.33 -36.59 75.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.449 0.642 . . . . 25.0 109.944 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.82 -12.39 53.87 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mmt -77.88 -30.44 50.82 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.419 -0.801 . . . . 50.0 109.448 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.9 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.161 0.505 . . . . 25.0 110.265 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -60.38 -33.95 73.21 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -85.82 -8.19 58.25 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.3 mmt -90.75 -3.92 57.07 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.516 0.675 . . . . 50.0 112.167 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -79.67 59.76 3.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.9 102.42 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 174.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.2 t -65.22 -19.02 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.287 1.588 . . . . 25.0 115.287 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.35 -38.57 14.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 112.185 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.411 ' H ' ' HG ' ' A' ' 81' ' ' SER . 0.9 OUTLIER -95.0 -66.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -179.286 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.56 -35.19 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -172.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.31 -25.73 63.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.483 -0.761 . . . . 25.0 112.496 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.76 -41.9 91.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -66.31 -39.49 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.13 -45.79 90.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.151 -0.932 . . . . 25.0 111.02 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.71 -44.03 91.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.642 0.656 . . . . 25.0 110.444 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.6 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 25.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -18.76 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -69.86 -15.06 63.02 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.075 -1.016 . . . . 25.0 110.993 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -25.25 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.919 0.39 . . . . 25.0 109.976 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -105.53 6.2 32.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.3 129.69 40.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.94 -44.32 69.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -128.82 -1.89 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.0 6.41 75.61 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.94 7.91 36.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.972 0.386 . . . . 25.0 111.772 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.12 25.0 46.17 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 120.918 -0.658 . . . . 25.0 114.687 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -128.42 143.99 51.07 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 117.235 0.517 . . . . 25.0 110.035 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.8 pt -138.46 163.12 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 31.1 t -79.12 150.58 31.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.94 65.96 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.268 0.556 . . . . 25.0 110.175 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.48 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -64.43 -38.28 90.49 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.186 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -35.07 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.29 -40.82 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -59.7 -36.72 77.08 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.53 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -65.22 -44.39 88.43 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.691 -0.404 . . . . 25.0 110.678 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.36 -44.59 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -62.0 -41.69 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.563 0.949 . . . . 50.0 113.563 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -74.24 -14.93 60.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.434 -0.791 . . . . 25.0 110.915 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.97 -4.49 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.218 -0.301 . . . . 25.0 111.57 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.73 -28.43 68.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.048 0.451 . . . . 50.0 111.435 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.16 159.07 32.15 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.633 -0.987 . . . . 25.0 110.633 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.61 140.57 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 63.95 30.68 14.13 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 139.5 54.92 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.263 -1.755 . . . . 25.0 106.263 173.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -84.52 149.1 26.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.512 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 -39.6 91.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.44 -38.8 85.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 25.0 111.46 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.8 -38.09 88.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.532 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.36 -42.1 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.019 -0.537 . . . . 25.0 109.74 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.002 0.742 . . . . 50.0 113.002 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.6 -21.21 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 78.9 mtm -76.44 -40.11 51.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.402 0.62 . . . . 50.0 109.788 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.73 -35.0 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.95 -22.03 34.77 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.97 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 50.0 111.987 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.44 156.65 20.74 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.563 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.64 74.72 2.02 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.575 0.702 . . . . 50.0 111.546 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.09 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.822 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.92 -2.28 11.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.866 1.432 . . . . 50.0 114.866 -174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.33 -59.9 4.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.07 -1.062 . . . . 25.0 112.565 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.03 -2.33 7.08 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.68 -2.36 79.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 108.478 -1.849 . . . . 25.0 108.478 -171.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.96 157.3 26.99 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.217 -1.401 . . . . 50.0 107.217 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.61 158.81 43.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -79.1 152.31 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.443 -2.058 . . . . 50.0 105.443 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -37.04 7.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.515 1.302 . . . . 50.0 114.515 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.13 -34.86 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.99 -33.42 51.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.02 -43.84 91.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.986 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.3 -33.28 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.579 -0.701 . . . . 50.0 109.521 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -70.47 -38.17 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.32 -0.238 . . . . 25.0 110.692 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.69 -41.42 98.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.983 0.421 . . . . 50.0 110.739 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.9 mtm -72.8 -13.15 61.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.73 0.3 . . . . 25.0 111.316 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 39.5 p 58.05 28.53 16.44 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.651 1.18 . . . . 25.0 111.052 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.07 64.1 1.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 113.741 -1.572 . . . . 25.0 114.408 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.727 178.277 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 120.593 0.235 . . . . 25.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.79 166.28 17.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.761 0.315 . . . . 25.0 111.239 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -125.03 134.25 52.63 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.11 130.64 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.075 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 p -98.95 151.39 20.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.443 0.639 . . . . 25.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.03 -25.6 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.36 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.079 -0.388 . . . . 25.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -72.56 -38.45 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.09 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.48 98.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.711 -0.222 . . . . 25.0 111.379 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.46 -42.34 99.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.258 0.551 . . . . 25.0 110.653 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.93 -37.55 86.34 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.921 -0.487 . . . . 50.0 110.089 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.02 -40.69 82.89 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 119.348 -0.358 . . . . 25.0 110.597 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -62.56 -44.37 96.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.492 0.587 . . . . 25.0 111.308 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.59 82.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.123 0.487 . . . . 25.0 110.748 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.49 -45.05 66.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.224 0.535 . . . . 50.0 110.342 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -66.5 -22.91 66.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -24.67 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.05 0.452 . . . . 50.0 110.599 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -120.66 2.74 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.383 0.883 . . . . 50.0 113.383 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -81.0 76.91 7.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 104.739 -2.319 . . . . 50.0 104.739 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -79.04 -16.5 56.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.757 -1.111 . . . . 25.0 113.611 -172.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -94.32 -28.03 15.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.218 0.532 . . . . 50.0 110.7 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.5 7.24 61.98 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.996 -0.547 . . . . 25.0 113.318 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.9 -3.43 51.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.836 0.351 . . . . 25.0 111.94 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.15 53.81 Favored Glycine 0 C--O 1.242 0.619 0 N-CA-C 110.603 -0.999 . . . . 25.0 110.603 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.8 p -133.28 162.83 30.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.086 0.47 . . . . 25.0 110.315 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 pt -133.22 166.62 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 104.346 -2.465 . . . . 50.0 104.346 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.597 ' HG1' ' H ' ' A' ' 31' ' ' GLU . 45.1 p -96.69 166.01 11.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.0 p -58.93 -25.77 63.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.709 . . . . 25.0 111.16 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -79.58 -34.2 41.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.597 ' H ' ' HG1' ' A' ' 28' ' ' THR . 75.9 mm-40 -77.44 -18.51 57.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.808 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.2 -39.91 70.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.16 0.505 . . . . 25.0 110.217 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.87 -36.85 93.83 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.72 -0.752 . . . . 50.0 112.091 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -38.46 65.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.35 -0.5 . . . . 25.0 111.538 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.18 -49.33 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.122 -0.696 . . . . 50.0 109.122 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -45.5 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 25.0 110.366 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -62.12 -36.64 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 m -70.33 -30.68 67.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.686 0.279 . . . . 25.0 110.679 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.56 -3.58 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 111.03 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 -0.36 89.31 Favored Glycine 0 C--O 1.227 -0.339 0 C-N-CA 121.519 -0.372 . . . . 25.0 112.806 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -85.03 125.69 32.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -107.16 91.93 7.26 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.915 -0.584 . . . . 50.0 110.106 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.91 152.78 58.06 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 115.192 -2.739 . . . . 50.0 109.805 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.6 p -71.34 163.19 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.27 -36.84 78.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.868 0.366 . . . . 25.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.52 78.11 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.13 -43.58 98.52 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.04 -41.26 91.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.29 -50.35 63.98 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.314 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.79 -35.28 77.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.416 0.525 . . . . 25.0 112.416 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.71 -29.78 70.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 50.0 110.203 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.1 mt -83.91 -32.9 8.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.099 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.95 -36.55 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.757 0.708 . . . . 25.0 110.114 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.5 -34.24 72.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.548 . . . . 25.0 111.159 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -86.3 -34.34 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.518 0.675 . . . . 25.0 110.547 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -64.69 -19.36 65.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.211 -0.45 . . . . 50.0 110.248 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.46 77.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.499 -0.319 . . . . 25.0 111.239 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.81 -26.95 16.01 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.03 0.919 . . . . 50.0 109.285 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.24 6.04 89.41 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.158 -0.928 . . . . 25.0 114.796 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -71.21 -28.91 64.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.686 0.743 . . . . 25.0 111.426 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.14 78.12 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.2 p -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.504 0.652 . . . . 25.0 110.414 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.5 mt -134.13 121.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.793 -1.558 . . . . 25.0 106.793 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 166.61 20.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.208 0.528 . . . . 50.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -58.1 -45.93 99.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.15 -29.8 47.22 Favored 'Trans proline' 0 C--N 1.356 0.954 1 C-N-CA 112.879 -4.28 . . . . 25.0 114.428 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.05 -32.26 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.815 -0.553 . . . . 50.0 109.572 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -64.22 -43.61 94.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 m -63.35 -41.14 98.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.705 0.288 . . . . 25.0 110.541 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.9 tpp -61.88 -40.54 95.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.949 -0.469 . . . . 25.0 110.322 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtm -68.12 -37.17 80.82 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.603 -0.439 . . . . 50.0 110.343 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.98 70.13 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.75 -38.71 92.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.27 0.557 . . . . 25.0 109.752 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -93.0 5.17 52.41 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttp -52.81 -34.51 54.02 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 118.667 2.84 . . . . 50.0 118.667 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -102.71 150.19 23.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.899 0.772 . . . . 25.0 111.899 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -115.23 98.48 6.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 m -86.05 47.9 1.53 Allowed 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.92 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.52 -66.77 0.7 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.946 0.403 . . . . 25.0 110.641 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 76.9 p -94.99 -9.87 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.528 0.68 . . . . 25.0 111.998 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.39 -37.09 82.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.35 -31.44 71.7 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.959 -0.696 . . . . 25.0 112.418 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.91 -45.27 86.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.659 0.742 . . . . 25.0 110.638 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.03 -42.4 59.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.551 . . . . 25.0 109.936 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -69.04 -26.52 65.02 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.041 -0.664 . . . . 25.0 111.253 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.94 -45.83 93.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.967 -0.458 . . . . 25.0 111.28 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.85 -13.81 58.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.813 1.412 . . . . 25.0 114.813 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -61.84 -23.22 66.12 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.8 -15.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -105.3 -7.34 18.95 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.686 0.394 . . . . 25.0 111.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -67.86 129.17 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -66.14 -50.11 65.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -129.65 3.84 5.02 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.56 39.66 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.362 -0.695 . . . . 25.0 111.362 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -110.31 2.7 19.31 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.19 -0.45 89.37 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.74 -0.743 . . . . 25.0 112.719 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -109.94 133.21 53.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.099 0.476 . . . . 25.0 110.564 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -137.26 165.33 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 103' ' ' ALA . 43.6 t -72.02 149.85 44.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.7 -29.34 68.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.293 0.568 . . . . 25.0 109.943 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 101' ' ' SER . . . -65.45 -38.61 90.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.369 177.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.25 -35.49 71.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.353 0.596 . . . . 25.0 109.661 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.14 -44.78 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.468 -0.938 . . . . 50.0 108.468 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -68.37 -27.3 66.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.889 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -61.77 -47.53 84.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -43.34 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.27 -46.07 89.51 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 111.894 0.331 . . . . 50.0 111.894 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.9 m -65.61 -36.65 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.909 0.385 . . . . 25.0 110.739 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.17 -30.73 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.35 -4.68 38.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 50.0 111.656 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.92 94.45 0.1 Allowed Glycine 0 C--O 1.229 -0.214 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.872 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.43 148.0 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.345 0.593 . . . . 25.0 110.341 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -131.91 151.45 51.7 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.16 -47.23 80.67 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.244 -0.182 . . . . 25.0 110.788 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.5 p -123.26 149.36 44.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.28 -29.54 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.643 0.735 . . . . 50.0 109.028 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -56.97 -36.41 70.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.543 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.17 -17.05 61.41 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.658 -0.651 . . . . 25.0 111.823 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.8 t -91.0 -35.74 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.8 -37.36 78.92 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.48 -0.782 . . . . 50.0 111.212 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 tpp -74.5 -39.31 62.49 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.028 0.918 . . . . 50.0 110.179 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.15 -34.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.974 -1.012 . . . . 25.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.86 -30.58 65.92 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.143 1.164 . . . . 25.0 114.143 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.67 -29.25 64.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.298 0.57 . . . . 50.0 111.703 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.72 153.57 30.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.528 0.68 . . . . 25.0 111.721 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.06 142.85 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.78 161.95 40.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.19 157.85 33.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.363 0.601 . . . . 50.0 110.241 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.94 -16.17 56.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -106.64 13.55 28.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.049 0.925 . . . . 25.0 111.479 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.59 34.58 19.05 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 115.603 1.001 . . . . 25.0 115.603 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.15 161.42 17.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.93 0.365 . . . . 50.0 110.687 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.09 154.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -89.47 100.03 12.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.114 -1.81 . . . . 50.0 106.114 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -60.31 -25.57 65.87 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.856 1.058 . . . . 50.0 113.856 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.76 -39.78 92.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.907 0.384 . . . . 25.0 111.837 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -78.16 -27.52 48.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -33.39 68.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.782 -0.574 . . . . 25.0 109.674 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -43.26 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 107.578 -1.267 . . . . 50.0 107.578 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.87 -42.69 99.35 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.361 . . . . 50.0 111.664 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -75.01 -25.31 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 m 56.6 40.25 29.44 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.69 137.94 58.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.321 -1.309 . . . . 25.0 112.295 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.252 1.195 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -179.514 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -80.88 -9.82 59.79 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.446 0.698 . . . . 25.0 112.024 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -70.16 159.75 33.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 50.0 112.106 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.11 157.62 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.9 p -66.2 153.54 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.518 0.675 . . . . 25.0 111.955 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.16 -24.49 67.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.01 -44.83 94.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 25.0 109.526 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.259 -0.428 . . . . 25.0 109.94 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.31 -39.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.6 98.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.244 -0.285 . . . . 25.0 111.029 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -43.71 98.13 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.107 -0.371 . . . . 25.0 110.551 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.64 -36.9 85.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -64.41 -40.11 95.13 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.525 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.28 -45.73 91.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.696 0.68 . . . . 25.0 109.866 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.83 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.758 0.314 . . . . 25.0 111.646 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.07 -44.39 69.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.047 0.451 . . . . 50.0 110.662 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.8 t -64.19 -22.98 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.665 0.386 . . . . 25.0 111.981 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -25.76 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.878 0.37 . . . . 50.0 110.53 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.43 -1.93 12.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.23 70.31 5.59 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.506 -1.294 . . . . 50.0 107.506 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -73.33 -26.25 60.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.388 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -79.13 -28.22 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.024 0.379 . . . . 50.0 112.024 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.09 -3.23 69.74 Favored Glycine 0 N--CA 1.46 0.278 0 N-CA-C 116.576 1.39 . . . . 25.0 116.576 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -91.33 5.78 47.93 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 117.493 0.647 . . . . 25.0 110.958 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 28.04 40.83 Favored Glycine 0 CA--C 1.511 -0.195 0 C-N-CA 120.331 -0.938 . . . . 25.0 111.362 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -129.72 152.73 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 pt -131.66 175.36 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 106.52 -1.659 . . . . 50.0 106.52 174.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -102.27 160.65 14.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 p -56.53 -37.4 70.42 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.52 -27.83 69.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.669 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -87.72 -8.98 55.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.797 0.295 . . . . 50.0 111.797 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.81 -39.59 77.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.65 96.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 50.0 111.523 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -40.4 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.463 -0.433 . . . . 25.0 111.429 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.36 -45.27 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.12 -42.28 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.994 -0.441 . . . . 25.0 110.301 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -68.31 -22.16 64.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -74.79 -21.33 59.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 mt -82.02 -0.02 42.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -4.79 85.69 Favored Glycine 0 C--O 1.229 -0.2 0 CA-C-N 116.225 -0.443 . . . . 25.0 114.114 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -103.73 134.18 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -87.96 130.61 45.87 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 105.714 -1.958 . . . . 50.0 105.714 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.35 152.48 55.22 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 114.929 -2.914 . . . . 50.0 109.959 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.7 144.06 31.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.67 -36.16 80.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.39 -54.22 26.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.067 0.46 . . . . 25.0 110.763 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.44 -34.13 77.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.583 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 25.0 109.802 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.4 -42.12 75.51 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.18 -46.17 83.06 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.396 0.617 . . . . 25.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.97 -32.74 74.38 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.556 0.576 . . . . 50.0 112.556 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -77.88 -36.87 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.1 -36.44 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 25.0 111.451 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 -38.01 13.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.511 0.672 . . . . 25.0 110.581 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -68.02 -14.71 63.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.481 . . . . 50.0 110.46 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.62 81.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.417 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -92.1 -24.58 19.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.161 -1.051 . . . . 50.0 108.161 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.85 6.07 82.99 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 118.078 1.991 . . . . 25.0 118.078 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.2 -28.99 66.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.825 1.312 . . . . 25.0 112.227 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.31 13.9 68.23 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.083 -0.579 . . . . 25.0 114.172 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.1 p -124.74 158.23 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.29 122.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.866 -1.901 . . . . 25.0 105.866 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.09 171.53 11.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.733 0.778 . . . . 50.0 109.015 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.59 -46.53 76.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -66.24 -24.81 50.55 Favored 'Trans proline' 0 C--N 1.357 0.981 1 C-N-CA 112.844 -4.304 . . . . 25.0 113.686 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.47 -39.13 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.146 -0.687 . . . . 50.0 109.146 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.16 -40.22 95.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.929 -0.482 . . . . 25.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 m -65.09 -37.91 89.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.349 0.595 . . . . 25.0 110.322 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.4 ttm -62.83 -41.46 99.34 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.2 mmt -72.57 -32.59 66.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 50.0 110.902 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.01 -20.15 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -57.12 -38.02 72.83 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 122.369 -0.207 . . . . 25.0 110.94 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -92.96 1.54 57.25 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -94.48 -32.63 13.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.9 0.381 . . . . 50.0 112.005 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -59.46 -37.53 78.39 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.252 1.205 . . . . 25.0 114.252 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -135.47 153.0 51.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.47 ' HG1' ' H ' ' A' ' 81' ' ' SER . 6.6 t -130.94 145.25 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.99 -17.53 60.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.192 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.47 ' H ' ' HG1' ' A' ' 79' ' ' THR . 21.3 t -59.54 -27.7 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.454 1.279 . . . . 25.0 114.454 -176.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -64.87 -35.5 81.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.493 -0.754 . . . . 25.0 110.572 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -80.26 -25.17 39.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.866 -0.521 . . . . 25.0 109.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -62.58 -40.34 96.57 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.01 -40.89 88.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -66.21 -32.54 74.03 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.834 -0.346 . . . . 25.0 111.34 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.68 -42.88 93.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.371 . . . . 25.0 110.458 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.48 83.78 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.347 0.594 . . . . 25.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -84.38 -10.18 57.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.53 -32.02 69.93 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -173.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.31 -16.75 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.34 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' C ' ' H ' ' A' ' 94' ' ' LYS . 90.9 m-85 -97.06 -34.94 10.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -85.8 49.72 1.83 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 105.659 -1.978 . . . . 25.0 105.659 172.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 92' ' ' PHE . 4.5 tttt -49.6 -43.14 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 113.553 -1.658 . . . . 25.0 113.623 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 6.97 47.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.189 -0.459 . . . . 25.0 112.035 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.74 34.65 89.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.404 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -16.16 24.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 -173.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.94 88.33 Favored Glycine 0 N--CA 1.46 0.298 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -135.97 137.75 41.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 103.883 -2.636 . . . . 25.0 103.883 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.45 158.86 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -67.98 149.3 49.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.09 67.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.193 0.521 . . . . 25.0 111.19 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.54 93.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.959 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.57 -39.05 81.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.125 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -66.1 -40.11 90.5 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.096 -0.642 . . . . 50.0 109.425 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -62.31 -37.46 85.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -61.41 -45.26 95.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.426 -0.213 . . . . 25.0 110.426 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.7 -45.15 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 121.089 0.471 . . . . 25.0 109.769 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.9 mtt -63.49 -36.15 82.81 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.4 t -87.02 -8.89 56.71 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.136 0.421 . . . . 25.0 112.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -69.67 -27.33 64.94 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.36 -12.28 59.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.83 . . . . 50.0 111.059 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 170.94 12.43 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 109.626 -1.39 . . . . 25.0 109.626 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.24 162.26 29.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -123.69 164.78 18.43 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -64.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -174.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.0 p -119.07 157.31 28.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.662 0.267 . . . . 25.0 110.318 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -76.08 -30.08 58.18 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.625 -0.509 . . . . 50.0 109.625 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.39 -25.2 67.46 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.22 -35.76 78.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.954 0.883 . . . . 25.0 108.631 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.61 -47.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.638 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -56.9 -38.64 73.1 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.018 1.118 . . . . 50.0 114.018 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -37.3 76.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.909 0.777 . . . . 25.0 111.235 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.4 mtm -72.6 -37.56 68.07 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.722 -0.611 . . . . 50.0 110.961 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.6 mm -70.46 -26.58 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.67 -18.25 63.77 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.24 -31.34 68.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.723 0.773 . . . . 50.0 109.934 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.25 167.34 15.74 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.378 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -81.47 72.39 8.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.977 1.103 . . . . 50.0 113.977 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.78 -42.04 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -83.08 -8.39 59.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.67 0.989 . . . . 50.0 113.67 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.8 -63.05 1.22 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 119.879 -1.153 . . . . 25.0 113.847 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -125.87 -10.24 6.64 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.509 0.671 . . . . 25.0 111.211 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.58 24.53 65.0 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.776 -0.725 . . . . 25.0 112.452 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.54 167.98 10.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.136 0.493 . . . . 50.0 111.181 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.73 144.97 35.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -84.19 94.96 8.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.107 -1.442 . . . . 50.0 107.107 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.31 -34.86 77.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.301 -0.863 . . . . 50.0 112.788 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.14 -37.97 70.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -88.91 -36.52 15.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.754 0.788 . . . . 25.0 110.151 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -33.26 70.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.4 0.518 . . . . 25.0 112.4 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.7 -39.05 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.14 0.422 . . . . 50.0 112.14 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -81.09 -27.62 35.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.634 0.652 . . . . 25.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.0 ttp -68.31 -37.96 81.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.781 0.324 . . . . 50.0 110.879 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.1 mtt -63.08 -23.08 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.6 t -111.69 7.01 20.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.917 -0.129 . . . . 25.0 110.913 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.73 50.13 18.87 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.012 -0.994 . . . . 25.0 109.67 177.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.5 97.92 3.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 119.294 0.952 . . . . 25.0 109.43 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.07 19.91 19.78 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.665 . . . . 50.0 110.842 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.8 118.96 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.02 0.438 . . . . 25.0 110.019 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -85.1 147.52 26.6 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -71.39 -21.25 62.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.3 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.49 -48.74 78.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.216 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -70.65 -30.55 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.081 -0.387 . . . . 25.0 110.701 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.37 -36.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.39 90.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.192 -0.318 . . . . 25.0 110.591 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.42 -42.25 96.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.175 0.512 . . . . 25.0 109.923 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -63.28 -39.02 93.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.836 -0.801 . . . . 50.0 108.836 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.02 -36.84 75.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -41.03 96.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.936 0.789 . . . . 25.0 109.447 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.176 0.513 . . . . 25.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -69.25 -45.89 68.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.421 0.629 . . . . 50.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -70.75 -20.71 62.6 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.245 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -22.62 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.48 -1.67 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -71.61 125.65 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.188 -2.523 . . . . 50.0 104.188 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -97.95 -16.78 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.7 -27.93 4.99 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.926 0.713 . . . . 50.0 112.926 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.97 9.9 44.25 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -75.62 -9.53 58.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.14 27.87 32.48 Favored Glycine 0 C--O 1.237 0.334 0 N-CA-C 110.869 -0.892 . . . . 25.0 110.869 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.3 p -133.8 159.26 41.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 pt -138.37 167.02 22.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.569 -2.012 . . . . 50.0 105.569 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.4 p -89.89 162.85 15.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -59.16 -36.16 74.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.234 0.54 . . . . 25.0 111.866 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -68.48 -27.9 66.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.966 -0.458 . . . . 25.0 111.303 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -17.42 59.03 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.206 -0.309 . . . . 50.0 110.726 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -36.09 72.49 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 110.534 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.29 -37.79 93.59 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.581 -0.819 . . . . 50.0 111.634 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.88 66.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.279 -0.542 . . . . 25.0 111.299 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.46 -47.81 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.59 -0.522 . . . . 50.0 109.59 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.71 -38.01 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.374 0.607 . . . . 25.0 110.094 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -65.79 -34.17 77.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.558 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -66.73 -32.23 73.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.969 0.35 . . . . 25.0 110.102 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.96 2.02 18.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.323 0.582 . . . . 25.0 110.428 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.11 -4.88 86.02 Favored Glycine 0 C--O 1.234 0.148 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.43 135.01 37.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.5 0.667 . . . . 25.0 110.431 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.62 91.96 48.6 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 107.945 -1.132 . . . . 50.0 107.945 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.37 164.32 35.48 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 118.412 -0.592 . . . . 50.0 111.268 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -73.67 162.28 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.84 -36.67 79.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.121 -0.362 . . . . 25.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.64 71.83 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.813 0.339 . . . . 25.0 110.722 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.26 -34.86 78.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.335 0.588 . . . . 25.0 110.374 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.87 -42.09 97.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.33 -40.87 85.95 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.442 -0.344 . . . . 25.0 111.15 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -60.87 -41.61 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.987 0.358 . . . . 25.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.6 mtm -65.79 -32.94 74.76 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.12 0.486 . . . . 50.0 110.882 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.65 -37.74 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.282 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.13 -40.0 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.61 -9.15 59.27 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 52.8 t -110.37 -42.9 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -89.55 43.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.848 0.832 . . . . 50.0 110.8 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.51 -23.35 67.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.617 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -82.54 -17.21 45.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.396 0.617 . . . . 50.0 111.17 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.72 18.12 73.75 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 115.309 0.883 . . . . 25.0 115.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -73.33 -23.54 60.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 117.235 0.517 . . . . 25.0 111.654 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.71 22.87 59.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 25.0 111.413 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.7 p -129.57 155.72 45.34 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.677 0.391 . . . . 25.0 111.974 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -136.89 125.95 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.57 165.61 13.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.869 0.842 . . . . 50.0 109.815 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -61.12 -43.51 90.83 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 115.993 1.849 . . . . 25.0 115.993 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.54 -29.48 44.35 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 112.933 -4.245 . . . . 25.0 114.864 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.54 -36.61 68.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.798 0.808 . . . . 50.0 108.919 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.07 -41.62 98.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.54 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.15 -35.95 80.79 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 122.012 -0.43 . . . . 25.0 111.428 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -60.46 -37.9 82.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.8 tpp -58.85 -44.74 91.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 25.0 110.454 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.6 mmt -70.53 -38.34 74.22 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.549 0.69 . . . . 50.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -26.42 64.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.267 0.84 . . . . 25.0 113.267 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -43.49 -59.77 2.02 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.274 1.212 . . . . 25.0 114.274 -176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -92.92 1.9 57.06 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.622 1.342 . . . . 25.0 114.622 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.6 mtp -88.08 4.11 46.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.163 0.982 . . . . 50.0 112.014 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -106.01 -1.51 23.85 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.892 -1.049 . . . . 25.0 112.971 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -138.37 173.01 12.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.365 0.603 . . . . 25.0 111.599 -175.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.69 77.15 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -50.42 -31.06 13.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.231 1.937 . . . . 25.0 116.231 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.5 t -59.39 -60.12 4.35 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -100.03 -60.82 1.46 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.46 -32.71 74.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 116.433 2.012 . . . . 25.0 116.433 -167.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.38 -45.64 92.25 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.702 -0.799 . . . . 25.0 109.124 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.0 mt -64.92 -38.74 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -63.17 -44.31 95.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.964 -1.017 . . . . 25.0 113.242 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.98 -28.71 20.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 115.32 1.6 . . . . 25.0 115.32 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.08 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -78.62 -15.52 58.43 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.572 -0.705 . . . . 25.0 112.869 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.553 ' HD3' ' HH ' ' A' ' 138' ' ' TYR . 26.9 mmt180 -70.49 -29.9 66.56 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.768 -0.583 . . . . 25.0 112.341 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.65 -9.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -109.52 6.64 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.853 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -76.23 100.24 5.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.9 0.857 . . . . 25.0 109.446 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -63.58 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -119.15 -4.71 10.51 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.56 25.78 73.3 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.047 -1.221 . . . . 25.0 110.047 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -123.35 8.41 9.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.73 3.44 90.34 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.72 134.74 54.85 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.441 1.121 . . . . 25.0 112.821 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.71 165.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.587 -1.634 . . . . 25.0 106.587 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -79.09 156.91 28.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.42 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.517 0.675 . . . . 25.0 110.812 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.5 87.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.153 0.501 . . . . 25.0 110.507 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.78 -37.88 64.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.17 -47.63 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.979 -0.378 . . . . 50.0 109.979 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -37.02 76.08 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 121.004 -0.278 . . . . 25.0 110.457 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -60.32 -46.39 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.793 -0.363 . . . . 25.0 110.953 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.57 -44.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -41.07 86.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.259 0.466 . . . . 50.0 112.259 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.2 p -75.94 -8.28 56.56 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.04 -29.13 13.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 25.0 110.107 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.6 tp -94.61 -33.17 13.1 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.384 1.253 . . . . 50.0 114.384 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.95 141.38 23.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.741 1.056 . . . . 25.0 115.741 -175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.33 -3.4 57.45 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.047 0.451 . . . . 25.0 111.898 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.34 119.78 10.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.04 -8.09 58.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.993 1.108 . . . . 25.0 113.993 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -118.98 136.04 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.325 -0.25 . . . . 25.0 110.325 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.55 -41.21 97.04 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -59.72 -36.1 75.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -71.02 -22.35 62.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.717 -0.614 . . . . 25.0 111.424 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -84.07 -44.39 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.666 -1.605 . . . . 25.0 106.666 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.7 -34.42 77.82 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.714 -1.13 . . . . 50.0 111.97 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -50.6 -49.34 56.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.122 0.487 . . . . 25.0 111.358 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.3 ttp -65.08 -41.18 95.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.601 0.715 . . . . 50.0 111.169 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.55 -39.62 78.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.133 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -62.76 -24.9 67.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.33 -32.29 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.242 0.46 . . . . 50.0 112.242 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.64 -40.37 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 105.34 11.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.087 0.946 . . . . 50.0 112.47 -173.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 pt -75.62 114.56 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.132 -0.94 . . . . 25.0 113.436 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.63 -18.06 50.99 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.699 -0.682 . . . . 50.0 112.025 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.9 85.02 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.216 -0.516 . . . . 25.0 112.858 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 -27.61 7.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.816 0.341 . . . . 25.0 110.919 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.19 -5.95 24.22 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 116.598 -0.274 . . . . 25.0 113.333 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -117.95 149.73 40.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.561 0.745 . . . . 50.0 109.884 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.05 150.53 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 25.0 111.488 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.08 100.04 12.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.403 -1.702 . . . . 50.0 106.403 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.553 ' HH ' ' HD3' ' A' ' 90' ' ' ARG . 13.6 p90 -62.92 -15.53 55.79 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.565 0.58 . . . . 50.0 112.565 -175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.14 -34.98 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.977 -0.452 . . . . 25.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -73.56 -28.39 61.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -35.42 74.74 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.32 -34.43 77.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 25.0 111.102 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.7 tpp -66.97 -33.47 75.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.878 0.371 . . . . 50.0 111.37 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.5 -16.89 60.83 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.163 -0.336 . . . . 25.0 110.866 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 59.5 p -108.03 24.88 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.403 0.62 . . . . 25.0 109.735 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.58 -178.56 1.83 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.629 0.728 . . . . 25.0 111.649 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.6 pttt . . . . . 0 C--O 1.247 0.96 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 -177.653 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 -43.3 92.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 58.93 13.8 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.146 1.536 . . . . 50.0 115.146 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tt -69.46 128.83 37.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -135.58 153.25 51.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.935 0.398 . . . . 25.0 110.418 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.85 -20.07 63.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.365 0.602 . . . . 25.0 109.56 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.13 -31.72 71.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.747 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -66.83 -38.06 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.6 mt -66.72 -38.09 80.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.82 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.384 -0.371 . . . . 25.0 110.029 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.06 -41.52 96.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.385 0.612 . . . . 25.0 110.084 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -65.54 -34.71 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.87 -0.519 . . . . 50.0 110.623 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -66.14 -39.5 89.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.494 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -67.16 -39.17 86.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -31.84 73.17 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.939 0.399 . . . . 25.0 111.315 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -71.59 -44.79 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -65.87 -14.34 61.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.64 -25.13 66.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.458 . . . . 50.0 111.407 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -110.54 -2.53 16.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.141 0.793 . . . . 50.0 113.141 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -78.88 102.77 8.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.35 1.071 . . . . 50.0 109.145 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -69.8 -24.66 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.54 -1.209 . . . . 25.0 113.771 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.34 -27.07 9.24 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.974 1.101 . . . . 50.0 113.974 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.66 59.2 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.58 0.992 . . . . 25.0 115.58 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.68 -4.71 58.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.568 0.684 . . . . 25.0 112.18 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 27.96 12.14 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 112.01 -0.436 . . . . 25.0 112.01 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -132.68 157.06 45.81 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.4 pt -136.01 167.91 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.069 -1.826 . . . . 50.0 106.069 176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 p -84.35 166.32 17.5 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -56.56 -38.81 72.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 25.0 110.717 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -63.52 -37.11 86.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 25.0 111.755 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -12.85 61.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -39.01 70.62 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.152 0.501 . . . . 25.0 110.844 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.77 95.07 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 120.611 -0.804 . . . . 50.0 111.995 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -39.96 70.11 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.65 -0.324 . . . . 25.0 111.831 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.84 -45.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.06 -0.348 . . . . 50.0 110.06 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ttt -60.26 -39.05 85.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -67.23 -32.32 73.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -73.85 -23.17 59.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.709 0.686 . . . . 25.0 109.793 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.36 -7.51 55.14 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.84 -4.92 36.52 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 117.021 1.569 . . . . 25.0 117.021 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -144.97 123.77 12.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.978 1.389 . . . . 25.0 111.924 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -106.42 145.49 31.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 121.894 -0.504 . . . . 50.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.07 171.64 14.95 Favored 'Trans proline' 0 C--O 1.24 0.607 0 N-CA-C 110.236 -0.717 . . . . 50.0 110.236 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -70.86 149.3 46.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.078 -2.193 . . . . 25.0 105.078 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.76 -28.06 68.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.53 95.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.94 0.4 . . . . 25.0 110.625 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -77.34 -26.97 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.061 0.457 . . . . 25.0 110.012 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.07 -43.42 95.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.47 -37.29 82.69 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.82 -44.68 90.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.012 0.434 . . . . 25.0 111.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.9 mtm -68.49 -35.54 77.66 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.434 0.635 . . . . 50.0 111.185 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.11 -34.24 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.156 -0.474 . . . . 25.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.61 -34.52 51.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.201 -0.312 . . . . 25.0 111.178 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.66 -39.16 90.38 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.753 0.706 . . . . 25.0 110.814 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -81.4 -37.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.456 0.646 . . . . 25.0 111.249 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -72.39 -18.42 61.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.097 -0.377 . . . . 50.0 110.49 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.42 79.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.71 -25.5 49.42 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.81 -1.181 . . . . 50.0 107.81 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.38 71.49 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.426 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -68.91 -33.94 74.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.02 -9.89 3.58 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 116.568 1.387 . . . . 25.0 116.568 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -132.23 163.96 27.44 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.332 1.066 . . . . 25.0 110.926 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -135.06 124.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 164.5 20.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.344 0.592 . . . . 50.0 109.752 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.28 -47.01 99.59 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.69 -33.81 85.2 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 114.213 -3.392 . . . . 25.0 114.571 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -72.7 -32.67 65.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.969 -0.457 . . . . 50.0 110.452 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.65 -43.14 99.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.18 -39.35 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.468 . . . . 25.0 110.183 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.4 m -60.9 -40.1 91.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.768 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtt -58.8 -35.01 72.14 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.2 mmt -63.48 -45.5 90.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.103 0.477 . . . . 50.0 109.758 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -55.56 -40.18 71.61 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.162 0.585 . . . . 25.0 112.337 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -71.13 -24.37 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -49.16 4.19 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 115.49 1.663 . . . . 50.0 115.49 -174.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -163.61 170.6 16.93 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -73.16 91.57 1.65 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.589 -1.634 . . . . 25.0 106.589 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -62.63 -15.27 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -95.82 -31.74 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.604 2.076 . . . . 25.0 116.604 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -95.08 -66.81 0.89 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.26 -27.61 17.51 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.166 -0.959 . . . . 25.0 111.87 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -62.23 -19.22 62.96 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -36.21 74.95 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.649 0.659 . . . . 25.0 109.592 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.9 mt -84.34 -39.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.527 0.68 . . . . 25.0 109.309 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -71.72 -12.5 61.35 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 114.041 1.126 . . . . 25.0 114.041 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.57 -40.9 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.92 67.12 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -95.93 -32.04 12.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 25.0 110.256 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.73 -35.81 79.14 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.115 0.566 . . . . 25.0 111.327 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.71 -18.52 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 120.772 0.32 . . . . 25.0 111.447 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -106.25 5.98 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.979 -0.451 . . . . 25.0 111.015 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -82.43 88.03 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.03 -44.6 4.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 116.747 2.129 . . . . 25.0 116.747 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.05 8.31 10.4 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.48 56.64 Favored Glycine 0 N--CA 1.463 0.463 0 C-N-CA 120.744 -0.741 . . . . 25.0 112.196 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -77.25 -28.83 53.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.23 -9.09 76.49 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 122.225 0.903 . . . . 25.0 111.142 -173.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -138.9 143.67 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 pt -137.49 166.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -67.39 151.8 46.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.009 -0.676 . . . . 25.0 110.063 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.423 0.63 . . . . 25.0 110.618 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.05 73.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.383 0.611 . . . . 25.0 110.101 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.54 -44.07 83.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.17 -39.24 92.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.11 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -65.5 -29.37 70.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.789 -0.569 . . . . 25.0 110.428 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -69.3 -37.98 78.07 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.768 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.99 -38.96 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.2 tpp -56.95 -46.71 81.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 p -72.65 -18.6 61.55 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -73.66 -29.02 62.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.73 -32.44 21.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 50.0 111.634 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.83 -172.44 36.38 Favored Glycine 0 C--O 1.224 -0.493 0 C-N-CA 120.629 -0.796 . . . . 25.0 114.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -109.46 159.93 16.63 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -123.91 165.59 17.12 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.82 -49.05 76.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.1 t -123.65 149.3 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.387 -0.227 . . . . 25.0 110.387 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.06 -22.07 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.013 -0.366 . . . . 50.0 110.013 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -56.29 -36.8 69.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.993 0.425 . . . . 25.0 111.3 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.605 0.716 . . . . 25.0 110.492 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -73.39 -38.74 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -46.4 86.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.79 -36.87 76.07 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.927 -0.709 . . . . 25.0 111.264 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.1 ttp -67.38 -38.79 85.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.633 0.254 . . . . 50.0 111.029 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.43 -42.5 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.04 -37.51 77.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.18 -30.18 69.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.99 0.424 . . . . 50.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.99 1.12 56.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.82 1.415 . . . . 25.0 114.82 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.93 116.71 9.71 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 85.9 mt -123.27 -52.32 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.67 139.18 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.344 0.593 . . . . 50.0 111.697 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.06 -17.28 63.23 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.727 -0.669 . . . . 25.0 113.678 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.31 8.08 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.082 0.468 . . . . 25.0 110.514 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.67 39.06 14.92 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.922 -0.656 . . . . 25.0 113.25 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -117.94 151.39 37.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.357 0.598 . . . . 50.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.53 146.91 33.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.96 100.05 10.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -63.87 -21.13 66.31 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.87 -0.605 . . . . 50.0 111.929 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.68 -44.52 90.24 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.061 0.393 . . . . 25.0 112.061 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -87.83 -23.64 23.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.73 -43.23 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.89 -38.67 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.236 -0.653 . . . . 50.0 109.236 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.08 -34.68 76.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.997 -0.439 . . . . 25.0 110.725 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.5 tpp -62.49 -33.66 75.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.253 0.549 . . . . 50.0 110.983 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.6 mtt -71.91 -9.68 58.69 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.786 -0.571 . . . . 25.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t -128.51 35.58 4.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.06 159.08 6.06 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.52 -0.763 . . . . 25.0 110.665 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.423 -0.799 . . . . 25.0 110.25 -176.121 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.87 -24.92 66.97 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.877 0.846 . . . . 25.0 109.419 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -133.54 171.99 13.35 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 105.684 -1.969 . . . . 50.0 105.684 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.18 154.96 33.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.395 0.434 . . . . 25.0 111.466 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -130.8 164.22 25.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.3 -17.47 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.85 0.357 . . . . 25.0 110.947 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.37 -41.9 90.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.54 -30.17 59.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.066 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.66 -34.69 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.37 87.39 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.15 -0.344 . . . . 25.0 110.367 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.21 -42.46 98.64 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -65.0 -40.36 94.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.855 -0.424 . . . . 50.0 109.855 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -62.3 -47.22 85.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.7 -35.48 78.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.109 -0.636 . . . . 25.0 110.59 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.53 77.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.043 0.449 . . . . 25.0 110.368 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -70.14 -46.66 64.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.392 0.615 . . . . 50.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -68.7 -14.9 63.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.06 -32.12 71.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -104.25 -26.24 12.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.777 -0.647 . . . . 50.0 112.322 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -78.21 89.67 4.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 50.0 108.451 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -98.05 -2.7 39.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.488 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.27 -27.9 12.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.11 0.481 . . . . 50.0 110.302 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.27 17.25 34.9 Favored Glycine 0 C--O 1.23 -0.129 0 CA-C-N 115.999 -0.546 . . . . 25.0 114.399 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -77.16 -13.86 59.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 16.57 68.4 Favored Glycine 0 C--O 1.239 0.431 0 C-N-CA 121.265 -0.493 . . . . 25.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -132.16 163.62 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.19 0.519 . . . . 25.0 111.779 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -135.65 170.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 103.669 -2.715 . . . . 50.0 103.669 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -87.4 161.9 17.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 p -60.05 -29.27 68.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.783 0.802 . . . . 25.0 110.662 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -83.12 -19.77 36.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.476 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.34 -9.5 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 50.0 109.664 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.55 -42.09 77.94 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.91 -38.88 96.06 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.705 -0.679 . . . . 50.0 112.056 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -40.53 80.29 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.179 -0.6 . . . . 25.0 111.707 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.83 -45.91 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.0 ttm -60.91 -39.98 91.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.037 0.446 . . . . 25.0 111.076 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.39 -22.8 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -74.56 -23.55 58.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.86 6.21 36.61 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.593 0.711 . . . . 25.0 109.097 175.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -4.98 83.44 Favored Glycine 0 N--CA 1.454 -0.117 0 N-CA-C 116.198 1.239 . . . . 25.0 116.198 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.49 123.09 36.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.569 1.185 . . . . 25.0 108.717 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.99 103.64 50.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 107.367 -1.346 . . . . 50.0 107.367 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.14 162.95 31.13 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 116.982 -1.545 . . . . 50.0 111.142 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 145.91 51.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 173.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.58 -22.06 66.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -50.88 62.4 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.18 -40.0 94.57 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.47 -42.91 99.5 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.061 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.07 -43.23 83.15 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.959 -0.296 . . . . 25.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -59.33 -42.57 91.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.947 0.403 . . . . 25.0 110.149 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtt -65.91 -31.96 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.173 -0.33 . . . . 50.0 111.688 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.86 -40.65 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.13 -40.9 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.279 0.49 . . . . 25.0 111.533 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -57.37 -35.8 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.46 . . . . 25.0 112.243 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.1 t -95.56 -32.25 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.156 0.503 . . . . 25.0 112.012 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.92 -13.84 62.67 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.463 -0.773 . . . . 50.0 108.969 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.41 78.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.475 0.31 . . . . 25.0 110.828 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.89 -25.25 61.0 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.712 1.244 . . . . 50.0 108.575 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.21 5.99 88.42 Favored Glycine 0 C--N 1.322 -0.244 0 CA-C-N 114.092 -1.413 . . . . 25.0 115.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.29 -28.82 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.01 0.905 . . . . 25.0 109.859 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.04 25.61 69.6 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.41 0.924 . . . . 25.0 115.41 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -127.92 152.25 48.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.37 0.585 . . . . 25.0 110.593 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.2 mt -131.62 125.46 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 163.77 21.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.151 0.5 . . . . 50.0 110.36 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.68 -44.89 99.55 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.34 -33.49 47.73 Favored 'Trans proline' 0 C--N 1.356 0.924 1 C-N-CA 112.104 -4.798 . . . . 25.0 114.264 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.61 -25.53 59.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.945 -0.472 . . . . 50.0 111.569 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -55.2 -40.74 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.04 -37.98 45.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.015 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -59.55 -42.33 92.14 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 25.0 111.075 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -60.81 -22.74 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 mmt -67.79 -20.61 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.808 -0.558 . . . . 50.0 111.295 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.91 92.83 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -65.63 -38.24 88.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -70.55 -5.55 29.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.3 ttt -87.75 -27.71 22.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.692 0.997 . . . . 50.0 113.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.31 111.05 4.53 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.169 -0.332 . . . . 25.0 111.156 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -94.7 159.89 14.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 25.0 110.267 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -160.97 133.56 6.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 103.153 -2.906 . . . . 25.0 103.153 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -86.02 -59.42 2.3 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -98.29 -66.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 119.852 3.279 . . . . 25.0 119.852 -175.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.51 -55.33 34.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 119.322 3.082 . . . . 25.0 119.322 -162.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.77 -37.65 70.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.08 -54.8 41.65 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.55 -43.33 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.955 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.56 -33.05 70.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.255 -0.978 . . . . 25.0 112.606 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.89 -41.59 78.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -36.26 69.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.03 0.443 . . . . 25.0 110.74 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -79.27 -21.21 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -69.51 -14.92 63.12 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.36 -18.89 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 119.685 -0.806 . . . . 25.0 109.612 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -98.08 -32.73 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.53 67.6 7.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.832 0.825 . . . . 25.0 109.345 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.14 70.26 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.218 -0.901 . . . . 25.0 113.426 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -95.09 -7.94 38.02 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.653 0.612 . . . . 25.0 112.653 -175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.65 26.52 67.24 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.893 -0.67 . . . . 25.0 113.858 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.04 -9.49 39.54 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.33 9.78 85.49 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.8 -0.714 . . . . 25.0 112.716 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -121.37 138.77 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.902 0.481 . . . . 25.0 110.434 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.2 pt -137.66 164.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.046 -1.835 . . . . 25.0 106.046 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -70.37 150.3 46.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -31.96 69.46 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.9 73.2 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.011 0.434 . . . . 25.0 111.373 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.06 -33.58 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.4 -42.9 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.12 -39.71 83.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -61.38 -45.66 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 119.735 -0.174 . . . . 25.0 110.962 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.84 -46.34 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.49 -44.61 95.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 t -76.1 -8.78 57.78 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -91.07 -25.77 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.91 0.386 . . . . 25.0 110.025 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.22 -15.67 28.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.41 0.522 . . . . 50.0 112.41 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.11 162.35 14.19 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 111.835 -0.506 . . . . 25.0 111.835 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -120.82 145.84 47.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 tttt 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.53 145.04 56.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -93.95 157.93 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.45 -38.47 89.89 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.444 -0.502 . . . . 50.0 110.942 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.13 -35.2 79.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 25.0 111.19 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.75 -37.93 85.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.4 -36.38 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.34 -45.32 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.404 0.621 . . . . 50.0 110.586 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.26 -38.23 76.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.302 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 tpt -68.99 -42.59 76.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.264 0.554 . . . . 50.0 111.078 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -73.53 -40.29 55.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -60.54 -21.07 62.12 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.9 -23.52 66.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.777 0.322 . . . . 50.0 111.814 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -127.63 16.97 6.96 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.32 135.93 46.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.958 -0.756 . . . . 50.0 108.958 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.0 mt -90.6 -24.12 5.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.843 -0.617 . . . . 25.0 109.795 -176.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.32 20.78 4.88 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.91 0.884 . . . . 50.0 113.229 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -59.97 1.37 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 120.506 -0.854 . . . . 25.0 112.766 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -122.46 11.72 9.99 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.598 0.713 . . . . 25.0 109.656 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.38 19.67 77.74 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.02 154.61 31.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.024 0.53 . . . . 50.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.17 155.96 38.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.65 99.79 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.917 -1.142 . . . . 50.0 107.917 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -72.08 -24.92 61.58 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.704 1.002 . . . . 50.0 113.704 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -35.24 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.32 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.79 -26.78 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.999 0.428 . . . . 25.0 109.943 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.23 -38.14 84.74 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.08 -43.76 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 50.0 108.185 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -62.83 -39.36 94.07 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.966 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.02 -43.1 99.56 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.608 0.363 . . . . 50.0 111.127 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.8 mtm -78.07 -9.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.513 -0.312 . . . . 25.0 111.619 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.7 p 57.36 26.78 12.89 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.856 1.263 . . . . 25.0 109.906 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.63 141.8 44.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.481 -1.236 . . . . 25.0 107.949 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.646 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -72.64 159.88 33.15 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -112.1 16.59 20.12 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.235 0.541 . . . . 50.0 111.352 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -100.89 147.96 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -119.46 157.19 28.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -67.53 -22.85 65.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.805 0.336 . . . . 25.0 110.097 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.31 -44.05 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.673 0.749 . . . . 25.0 109.437 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -74.3 -31.16 62.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 25.0 109.749 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.77 -34.62 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.42 92.96 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.016 -0.427 . . . . 25.0 109.867 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -64.87 -37.82 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.929 -0.482 . . . . 25.0 109.949 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -65.56 -31.87 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.028 -0.42 . . . . 50.0 110.365 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.96 -40.92 83.11 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.118 -0.364 . . . . 25.0 110.049 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -66.77 -36.13 81.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.97 86.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.877 -0.515 . . . . 25.0 110.149 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -69.52 -45.07 69.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.389 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -67.54 -23.32 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.59 -23.89 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.192 -0.317 . . . . 50.0 111.143 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -106.46 -16.24 14.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.885 0.328 . . . . 50.0 111.885 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -82.15 58.95 4.21 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.11 -1.441 . . . . 50.0 107.11 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.344 -1.298 . . . . 25.0 112.022 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -77.85 -27.94 49.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 50.0 112.294 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.17 18.02 41.08 Favored Glycine 0 CA--C 1.517 0.169 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 25.0 110.943 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.7 18.92 62.71 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 111.09 -0.804 . . . . 25.0 111.09 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -136.17 164.64 27.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.072 0.463 . . . . 25.0 111.627 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -134.38 165.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 103.897 -2.631 . . . . 50.0 103.897 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -85.08 162.6 19.23 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.329 -0.857 . . . . 25.0 108.731 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.4 -22.53 61.54 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.524 0.565 . . . . 25.0 112.524 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -87.86 -29.8 20.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.092 -0.38 . . . . 25.0 111.092 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.68 -13.11 60.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.056 0.455 . . . . 50.0 111.098 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.54 -41.6 66.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 25.0 110.069 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.27 -40.08 97.61 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.697 -0.763 . . . . 50.0 112.18 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -69.58 -40.11 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.516 -0.402 . . . . 25.0 111.383 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mtp -64.22 -38.39 90.88 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.459 -0.776 . . . . 25.0 111.09 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -72.7 -12.53 61.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 t -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.12 4.04 43.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.046 0.451 . . . . 25.0 109.949 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.55 88.66 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.46 -0.4 . . . . 25.0 113.684 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -85.0 127.62 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.6 0.7 . . . . 25.0 110.246 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -88.04 108.41 21.24 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.73 152.73 47.93 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 114.505 -3.197 . . . . 50.0 110.233 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.99 139.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.919 -1.882 . . . . 25.0 105.919 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.53 -27.35 66.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.772 -0.58 . . . . 25.0 111.692 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.06 92.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.65 -42.56 91.28 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.833 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -41.78 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.245 -0.182 . . . . 25.0 110.677 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.25 -51.87 66.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -71.49 -32.03 67.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.7 mtt -62.34 -36.73 83.1 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.641 -0.503 . . . . 50.0 109.641 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -43.21 93.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.23 -38.92 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 122.181 -0.325 . . . . 25.0 111.646 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.74 -34.32 76.97 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.029 -0.419 . . . . 25.0 111.351 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.7 t -84.78 -38.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.364 0.602 . . . . 25.0 111.315 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -66.57 -7.87 23.1 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.936 -0.477 . . . . 50.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.46 80.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.294 0.238 . . . . 25.0 110.452 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -87.22 -27.03 23.22 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.285 -1.006 . . . . 50.0 108.285 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 8.2 84.6 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 114.855 -1.066 . . . . 25.0 114.58 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -68.56 -28.86 67.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 117.578 0.689 . . . . 25.0 111.899 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 2.41 68.81 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 p -126.05 163.86 22.13 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.7 mt -127.97 113.49 31.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 105.234 -2.135 . . . . 25.0 105.234 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.71 172.22 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.566 -1.272 . . . . 50.0 107.566 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.04 -45.76 91.52 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.46 -24.18 42.9 Favored 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 112.733 -4.378 . . . . 25.0 113.95 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.21 -36.94 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.819 -0.808 . . . . 50.0 108.819 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.24 -44.47 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.58 -37.02 85.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.215 -0.303 . . . . 25.0 110.862 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -63.61 -40.28 96.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.5 tpp -66.0 -36.31 82.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.206 -0.309 . . . . 25.0 111.227 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.68 -37.42 79.58 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.667 -0.646 . . . . 50.0 109.358 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.71 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.572 -0.286 . . . . 25.0 110.812 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.57 -33.58 71.62 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -82.7 1.03 40.63 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 tpt -76.63 -19.26 58.0 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 106.189 -1.782 . . . . 50.0 106.189 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -90.32 152.82 20.86 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.617 -1.623 . . . . 25.0 106.617 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.12 148.3 27.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.45 125.47 15.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.462 0.648 . . . . 25.0 109.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.94 -34.09 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.005 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -59.09 -25.01 63.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.548 -0.297 . . . . 25.0 111.632 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.29 -31.86 13.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -89.35 -33.27 16.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -59.08 -39.46 82.23 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.743 0.702 . . . . 25.0 111.77 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.38 -40.42 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.758 0.789 . . . . 25.0 109.555 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -73.16 -31.45 64.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.05 -36.65 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.79 64.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.354 0.501 . . . . 25.0 112.354 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -95.85 -27.63 15.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.24 0.459 . . . . 25.0 112.24 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -61.57 -31.97 72.04 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.69 -9.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -110.16 3.75 20.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.438 0.295 . . . . 25.0 111.506 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.6 121.21 11.03 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.997 0.427 . . . . 25.0 111.7 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -37.63 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 115.796 1.776 . . . . 25.0 115.796 -173.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.95 4.71 5.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.482 0.658 . . . . 25.0 110.8 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.3 24.83 74.53 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.567 -1.813 . . . . 25.0 108.567 -174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -115.47 12.79 16.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -173.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.39 13.29 63.76 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.65 140.17 53.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 pt -139.45 161.53 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 t -71.7 153.32 42.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.533 -0.73 . . . . 25.0 109.838 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.74 68.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.357 0.599 . . . . 25.0 109.711 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.01 78.23 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.318 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.79 -34.75 72.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.31 -49.87 76.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.534 -0.543 . . . . 50.0 109.534 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -65.68 -31.72 72.88 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.682 -0.407 . . . . 25.0 110.854 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -61.73 -45.32 94.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.163 -0.215 . . . . 25.0 110.575 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.04 -45.5 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.45 -42.22 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 50.0 113.645 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 t -76.81 -15.26 59.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.629 -0.669 . . . . 25.0 111.882 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.52 -25.01 59.06 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.268 -0.27 . . . . 25.0 110.953 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.84 51.99 1.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.075 0.94 . . . . 50.0 110.378 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.31 174.52 35.5 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.482 -1.047 . . . . 25.0 110.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -150.94 168.32 24.87 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 63.94 -27.08 0.08 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 118.046 2.61 . . . . 25.0 118.046 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.3 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 25.0 111.499 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -112.75 160.96 17.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.52 -48.52 80.57 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -60.3 -34.14 73.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.318 0.58 . . . . 25.0 112.276 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.66 -35.38 79.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.822 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.42 -36.01 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.71 77.63 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 -176.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -55.9 -38.33 70.07 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.556 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -29.2 37.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.077 0.465 . . . . 50.0 111.045 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.1 -38.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -61.21 -16.88 49.74 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -97.89 -31.39 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.502 0.556 . . . . 50.0 112.502 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.93 2.88 35.75 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 117.603 2.446 . . . . 25.0 117.603 -173.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.79 161.89 13.37 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.186 0.81 . . . . 50.0 113.186 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 pt -125.27 124.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 25.0 108.976 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -61.53 -24.06 66.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.772 1.027 . . . . 50.0 113.772 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.29 73.34 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.218 -0.515 . . . . 25.0 113.704 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.45 -25.4 5.6 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.44 21.6 78.6 Favored Glycine 0 C--O 1.246 0.848 0 N-CA-C 109.478 -1.449 . . . . 25.0 109.478 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -117.99 158.18 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.552 -0.824 . . . . 50.0 112.092 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.8 m -116.81 156.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -85.32 138.59 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 103.257 -2.868 . . . . 50.0 103.257 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -99.89 -5.69 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.321 -0.952 . . . . 50.0 112.641 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.64 -46.53 78.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.395 -0.595 . . . . 25.0 109.395 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -69.19 -30.77 69.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.16 0.505 . . . . 25.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.38 -38.09 81.02 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.774 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.83 -42.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.312 -0.996 . . . . 50.0 108.312 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -60.57 -42.74 97.27 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.991 -0.284 . . . . 25.0 110.493 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 36.8 tpp -60.09 -31.19 69.8 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.189 -0.319 . . . . 50.0 111.763 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.33 -6.3 50.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.5 t -145.77 14.4 1.36 Allowed 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.29 -165.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 C--O 1.246 0.896 0 O-C-N 124.916 1.385 . . . . 25.0 110.11 -178.345 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.243 -0.281 . . . . 25.0 110.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.39 -18.88 63.81 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.927 1.455 . . . . 25.0 114.927 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -82.34 50.83 1.69 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.952 1.093 . . . . 50.0 113.952 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.74 148.6 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 p -130.67 161.3 31.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.007 0.432 . . . . 25.0 110.975 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.07 -23.24 60.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -63.23 -36.17 82.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.162 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -69.39 -18.5 63.78 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.657 -0.417 . . . . 25.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -67.11 -34.14 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.93 80.83 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.51 -37.87 88.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.318 0.58 . . . . 25.0 110.2 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.9 -34.02 77.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -68.89 -42.12 77.36 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.38 -37.96 88.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.336 -0.546 . . . . 25.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.126 0.489 . . . . 25.0 110.534 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.02 -46.21 58.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.179 0.514 . . . . 50.0 109.795 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -67.6 -16.84 64.38 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.95 -29.19 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.827 0.822 . . . . 50.0 108.836 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -106.72 -4.19 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.629 0.974 . . . . 50.0 113.629 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -101.78 104.2 14.97 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -97.88 -4.39 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.902 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -108.3 -28.0 9.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.605 0.595 . . . . 50.0 112.605 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.88 9.7 55.92 Favored Glycine 0 C--N 1.322 -0.239 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.685 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -74.27 -12.58 60.59 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 117.316 0.558 . . . . 25.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 23.73 58.06 Favored Glycine 0 C--O 1.235 0.216 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.215 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.6 p -131.64 160.46 35.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 25.0 111.528 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.96 169.83 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.012 -2.218 . . . . 50.0 105.012 175.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' A' ' 30' ' ' LYS . 25.1 p -87.1 165.35 15.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 175.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 p -60.2 -26.83 66.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.531 0.682 . . . . 25.0 110.991 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' H ' ' HG1' ' A' ' 28' ' ' THR . 4.1 mptt -73.92 -37.19 64.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.05 -18.04 62.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.884 -0.598 . . . . 50.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.46 -43.04 75.12 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.38 -36.96 93.85 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.459 -0.877 . . . . 50.0 111.547 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.1 OUTLIER -68.94 -35.0 76.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.06 -46.15 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 108.894 -0.78 . . . . 50.0 108.894 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.9 mmt -60.48 -44.65 95.69 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -59.28 -35.37 73.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.781 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -69.17 -25.15 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.3 -0.25 . . . . 25.0 111.326 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.49 0.48 56.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.128 0.489 . . . . 25.0 110.129 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.57 0.28 88.06 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.893 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.12 132.09 34.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.966 0.413 . . . . 25.0 110.518 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.23 92.27 18.38 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.319 -0.4 . . . . 50.0 110.267 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.56 153.58 73.33 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 115.373 -2.618 . . . . 50.0 110.754 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.91 139.58 50.76 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 174.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.36 -27.51 68.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.9 87.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.031 -0.418 . . . . 25.0 110.405 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.93 -35.68 72.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.42 -35.54 80.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.57 -44.72 93.28 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.416 -0.326 . . . . 25.0 110.127 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.86 -41.9 92.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.209 0.458 . . . . 25.0 110.502 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.5 mtt -61.27 -34.19 74.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.229 0.538 . . . . 50.0 111.403 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.06 -45.26 22.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 mm -60.85 -39.95 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.51 -27.11 68.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.511 -0.876 . . . . 25.0 111.71 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.08 -33.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.606 0.717 . . . . 25.0 110.136 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.01 -26.2 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.81 70.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.778 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.57 -24.06 60.04 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.597 1.189 . . . . 50.0 108.95 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.95 8.93 87.25 Favored Glycine 0 N--CA 1.458 0.156 0 CA-C-N 113.359 -1.746 . . . . 25.0 115.814 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -88.27 -28.94 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.48 25.24 60.43 Favored Glycine 0 C--O 1.243 0.667 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -128.25 154.11 46.23 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.291 0.637 . . . . 25.0 109.629 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -130.95 126.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 160.76 20.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.982 0.42 . . . . 50.0 110.2 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.77 -46.91 99.68 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.78 -32.88 55.6 Favored 'Trans proline' 0 C--N 1.357 0.978 1 C-N-CA 112.709 -4.394 . . . . 25.0 114.714 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -22.98 51.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.535 -0.728 . . . . 50.0 111.279 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -39.68 94.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 172.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -41.82 75.35 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.188 -0.32 . . . . 25.0 110.207 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -58.72 -38.19 77.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.948 0.404 . . . . 25.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 tpp -59.83 -42.57 93.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.014 0.435 . . . . 25.0 110.625 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.1 mtm -76.42 -25.66 54.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.09 64.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.37 0.605 . . . . 25.0 110.663 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.26 -29.31 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.99 -0.444 . . . . 25.0 110.926 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -92.92 1.78 57.12 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 123.592 0.757 . . . . 25.0 112.848 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.7 ttt -75.58 6.52 4.67 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.818 0.818 . . . . 50.0 112.866 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -88.45 100.74 13.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.176 -0.92 . . . . 25.0 111.506 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.75 147.62 52.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 m -132.01 117.8 18.87 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.959 0.409 . . . . 25.0 110.685 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.0 -61.2 2.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 117.359 2.355 . . . . 25.0 117.359 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.4 p -95.01 -66.8 0.89 Allowed 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 120.658 3.577 . . . . 25.0 120.658 -171.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -94.7 -66.7 0.9 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 119.368 3.099 . . . . 25.0 119.368 -167.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.71 -35.2 77.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 116.282 1.956 . . . . 25.0 116.282 -168.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.08 -46.19 88.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.796 0.725 . . . . 25.0 111.465 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.01 -41.66 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -65.8 -36.27 83.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.001 -0.545 . . . . 25.0 112.061 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.54 -32.88 74.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.216 -0.302 . . . . 25.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.1 -35.92 70.01 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.609 0.242 . . . . 25.0 110.832 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -86.52 -37.84 17.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.067 0.46 . . . . 25.0 110.597 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -58.55 -33.11 69.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.69 -17.93 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 O-C-N 121.78 -0.575 . . . . 25.0 111.517 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.38 -1.45 35.99 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.95 -0.469 . . . . 25.0 111.473 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.96 74.91 7.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.494 1.14 . . . . 25.0 109.131 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -69.89 -23.74 63.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.662 -175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -93.25 -11.75 31.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.918 0.389 . . . . 25.0 111.019 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.26 27.61 72.6 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 116.267 -0.424 . . . . 25.0 112.136 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -123.21 8.28 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 -174.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.55 5.85 84.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.97 -0.633 . . . . 25.0 114.405 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -115.51 140.19 49.38 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.67 0.735 . . . . 25.0 111.333 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.88 160.87 36.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 104.861 -2.274 . . . . 25.0 104.861 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.9 t -73.7 152.99 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.11 -25.27 65.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.949 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.5 96.34 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -74.36 -34.24 63.31 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.909 -0.774 . . . . 50.0 108.909 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -66.0 -31.24 72.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.701 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -66.76 -36.82 83.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.191 -0.318 . . . . 25.0 110.809 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.49 -45.87 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.4 -38.91 88.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.948 0.88 . . . . 50.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -17.26 62.43 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.165 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -86.91 -40.72 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.34 -31.51 72.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.956 0.408 . . . . 50.0 111.086 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.18 21.95 21.26 Favored Glycine 0 C--O 1.23 -0.148 0 C-N-CA 120.798 -0.715 . . . . 25.0 114.862 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.67 81.85 1.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -140.72 41.87 1.85 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -171.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.52 -55.28 16.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.33 157.25 28.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 169.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.32 -23.11 66.31 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.94 0.876 . . . . 50.0 109.004 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.91 -22.74 65.06 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.929 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.14 -38.12 89.93 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.639 0.733 . . . . 25.0 109.607 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.57 -42.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 122.054 0.93 . . . . 25.0 109.723 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -44.02 61.5 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.021 1.489 . . . . 50.0 115.021 -173.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.42 -39.39 90.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.094 -0.379 . . . . 25.0 111.356 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.8 mmm -62.0 -27.14 68.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.55 0.574 . . . . 50.0 112.55 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 -37.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.28 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.91 -23.09 66.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -72.67 -24.91 61.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.507 0.67 . . . . 50.0 111.44 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.59 168.94 15.91 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.605 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.2 163.66 27.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.835 -0.62 . . . . 50.0 110.636 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 pt -77.23 164.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 114.989 1.477 . . . . 25.0 114.989 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.49 124.73 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.12 -0.946 . . . . 50.0 109.977 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.32 -59.94 1.51 Allowed Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -107.0 12.06 29.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.677 0.751 . . . . 25.0 109.495 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.64 -2.34 82.45 Favored Glycine 0 C--O 1.236 0.266 0 CA-C-N 115.869 -0.605 . . . . 25.0 112.5 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -117.68 149.8 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.019 0.527 . . . . 50.0 111.414 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -133.37 155.48 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -92.26 100.96 13.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.153 0.978 . . . . 50.0 111.625 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -62.03 -23.91 66.74 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 114.577 1.325 . . . . 50.0 114.577 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.13 -35.57 81.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 25.0 111.652 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -88.97 -26.75 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.656 -0.653 . . . . 25.0 109.46 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -66.89 -42.72 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.714 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.68 -31.55 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.14 -0.689 . . . . 50.0 109.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.23 -39.86 68.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.425 -0.584 . . . . 25.0 109.425 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.8 tpp -65.15 -34.54 78.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.819 0.343 . . . . 50.0 111.111 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.79 -28.23 68.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t -105.66 1.44 27.26 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.31 102.83 9.77 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.076 -0.39 . . . . 25.0 110.15 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 116.181 -1.866 . . . . 25.0 106.484 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 110.815 -0.069 . . . . 25.0 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.47 33.2 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.182 1.179 . . . . 25.0 114.182 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -88.13 80.92 7.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.503 -1.295 . . . . 50.0 107.503 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -129.17 159.77 34.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.543 -0.753 . . . . 25.0 109.013 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.8 p -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 25.0 111.464 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.36 -16.87 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.491 . . . . 25.0 111.103 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.79 -41.02 98.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.58 -32.44 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.679 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.41 -38.26 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.63 96.15 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -61.73 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.309 0.576 . . . . 25.0 109.933 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.1 -36.39 83.86 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.092 -0.38 . . . . 50.0 110.025 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -40.94 95.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.439 -0.163 . . . . 25.0 111.258 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.3 -40.78 86.09 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.63 -0.828 . . . . 25.0 110.196 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -35.39 80.92 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.226 0.536 . . . . 25.0 110.979 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.58 -46.01 70.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.223 0.535 . . . . 50.0 110.055 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -68.52 -15.08 63.42 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -22.34 66.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.822 -0.436 . . . . 50.0 109.822 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CD2' HG23 ' A' ' 35' ' ' VAL . 91.8 m-85 -113.93 -22.97 9.84 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.214 0.449 . . . . 50.0 112.214 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -77.37 87.99 3.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.353 1.073 . . . . 50.0 108.773 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -69.61 -24.9 63.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.492 -1.231 . . . . 25.0 114.181 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.01 -27.77 12.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.162 1.171 . . . . 50.0 114.162 -172.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.63 40.17 Favored Glycine 0 C--N 1.321 -0.257 0 C-N-CA 121.507 -0.377 . . . . 25.0 113.607 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.1 -11.63 59.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.023 0.439 . . . . 25.0 111.043 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.85 44.51 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 121.349 -0.453 . . . . 25.0 112.841 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 p -132.2 162.5 30.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.207 0.527 . . . . 25.0 112.333 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.07 162.45 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 103.089 -2.93 . . . . 50.0 103.089 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.0 p -82.19 161.1 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.754 1.161 . . . . 25.0 108.725 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.4 p -59.5 -36.73 76.62 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 122.107 0.956 . . . . 25.0 108.838 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.66 -36.05 75.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.817 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.17 -12.02 58.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.528 0.936 . . . . 50.0 113.528 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.23 -46.1 62.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.195 0.521 . . . . 25.0 111.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.65 -34.29 89.51 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.673 -0.775 . . . . 50.0 112.425 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -41.01 61.67 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.284 -0.539 . . . . 25.0 111.018 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 19' ' ' PHE . 73.9 t -65.81 -48.46 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.959 -0.386 . . . . 50.0 109.959 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 tpt -59.88 -42.24 93.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 25.0 110.646 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.0 -24.07 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.967 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -68.22 -19.03 64.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.003 -0.436 . . . . 25.0 111.835 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.24 8.04 29.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.126 0.489 . . . . 25.0 110.461 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.05 4.78 88.2 Favored Glycine 0 C--O 1.223 -0.552 0 C-N-CA 121.07 -0.586 . . . . 25.0 114.379 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -130.5 132.08 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -103.97 143.13 26.04 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.932 -1.507 . . . . 50.0 106.932 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.92 168.82 20.29 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 117.005 -1.53 . . . . 50.0 108.612 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -75.34 155.82 36.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 103.242 -2.873 . . . . 25.0 103.242 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -62.27 -27.26 68.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.676 -0.64 . . . . 25.0 112.106 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.86 92.47 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.473 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.71 -43.22 97.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.288 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.74 -47.46 72.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.304 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.21 -43.59 98.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 25.0 111.367 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtt -66.12 -30.34 70.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.317 0.488 . . . . 50.0 112.317 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.61 -49.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mm -60.94 -38.72 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.57 -17.39 64.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.88 -41.68 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 25.0 111.696 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -13.81 62.52 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.67 -0.644 . . . . 50.0 111.743 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -28.32 69.83 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 110.938 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.88 -24.07 59.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.236 1.017 . . . . 50.0 109.927 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 6.15 75.29 Favored Glycine 0 C--O 1.23 -0.143 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.124 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -65.78 -28.6 69.13 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.186 0.517 . . . . 25.0 111.789 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.36 -10.09 6.74 Favored Glycine 0 C--O 1.239 0.448 0 N-CA-C 115.991 1.156 . . . . 25.0 115.991 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -128.19 162.16 27.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 117.221 0.51 . . . . 25.0 110.759 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.6 mt -127.09 127.94 70.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.66 170.74 14.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.286 1.041 . . . . 50.0 110.192 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.44 -45.59 77.5 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -65.57 -24.23 56.23 Favored 'Trans proline' 0 C--N 1.356 0.945 1 C-N-CA 112.767 -4.355 . . . . 25.0 114.129 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -71.57 -41.76 68.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.814 -0.809 . . . . 50.0 108.814 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -56.95 -44.61 82.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.51 -35.97 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.091 -0.381 . . . . 25.0 111.193 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.5 m -63.29 -39.61 95.06 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.83 -42.26 97.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.24 -44.19 88.98 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.899 0.381 . . . . 50.0 110.695 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.81 88.38 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.683 -0.235 . . . . 25.0 110.373 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.476 -0.14 . . . . 25.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.59 -27.42 66.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.111 0.481 . . . . 25.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.8 mtm -82.27 -2.97 54.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.963 1.097 . . . . 50.0 113.963 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.41 148.21 28.34 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.604 -0.685 . . . . 25.0 111.777 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.26 153.82 31.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.394 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -131.96 137.56 47.96 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 103.443 -2.799 . . . . 25.0 103.443 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.66 -66.05 0.46 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 117.991 2.589 . . . . 25.0 117.991 -167.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.2 p -94.5 -25.75 16.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.904 -0.497 . . . . 25.0 112.299 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.3 -45.66 83.51 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.48 -33.29 75.37 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.614 -173.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.65 -44.65 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.513 0.673 . . . . 25.0 109.39 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 84.0 mt -68.21 -42.05 84.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-O 121.697 0.761 . . . . 25.0 109.467 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.51 -41.7 98.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 110.526 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.41 -47.92 66.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.31 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.469 0.914 . . . . 25.0 113.469 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -82.02 -28.46 32.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -65.61 -18.37 65.27 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.18 -28.42 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 120.953 0.406 . . . . 25.0 110.502 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -109.29 14.4 23.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -65.66 111.23 3.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.571 0.7 . . . . 25.0 110.13 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -66.83 -48.55 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.74 5.31 13.1 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.04 29.54 56.83 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 108.198 -1.961 . . . . 25.0 108.198 -175.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -128.69 13.33 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.556 0.743 . . . . 25.0 112.877 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.75 4.56 90.3 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.409 0.924 . . . . 25.0 115.409 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -96.71 136.43 37.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.267 1.033 . . . . 25.0 111.171 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -132.81 163.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 t -77.1 151.89 35.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.91 66.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.446 0.641 . . . . 25.0 109.33 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.9 83.5 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.99 0.424 . . . . 25.0 110.052 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -77.92 -30.78 50.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.048 -0.523 . . . . 25.0 109.773 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.65 -46.04 88.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -63.41 -39.66 95.09 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.458 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.81 -43.75 98.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.779 -0.191 . . . . 25.0 111.205 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.61 -42.27 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.0 mtt -61.37 -43.09 99.47 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.559 -0.456 . . . . 50.0 111.914 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 p -70.53 -26.46 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.929 -0.482 . . . . 25.0 111.461 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.85 -23.11 61.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.748 0.308 . . . . 25.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -90.57 -2.86 57.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 50.0 110.709 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 127.14 123.8 2.66 Favored Glycine 0 CA--C 1.516 0.117 0 CA-C-O 121.503 0.502 . . . . 25.0 112.747 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.51 154.17 42.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.396 0.617 . . . . 25.0 110.572 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -94.63 175.78 6.54 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.32 -47.87 82.35 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.113 0.782 . . . . 25.0 113.113 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.3 t -119.01 152.73 35.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.31 -30.18 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.353 0.596 . . . . 50.0 109.74 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -60.21 -35.03 74.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.463 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.19 -23.37 67.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.386 0.612 . . . . 25.0 110.272 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.25 -48.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -41.48 86.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.453 1.649 . . . . 50.0 115.453 -173.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -68.22 -30.47 69.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.409 -0.516 . . . . 25.0 110.324 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 46.8 ttp -67.4 -31.28 71.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.546 0.689 . . . . 50.0 110.365 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.5 mt -78.29 -32.49 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -66.39 -10.17 40.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.63 -30.61 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 50.0 110.092 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.4 158.9 15.82 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.084 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 65.66 1.06 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 122.016 0.912 . . . . 50.0 112.076 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.1 pt -65.87 -18.03 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.921 1.082 . . . . 25.0 113.921 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.54 -6.81 59.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 50.0 111.002 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.08 -54.59 3.14 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.712 -0.756 . . . . 25.0 114.407 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -120.12 -21.47 7.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 -8.82 11.75 Favored Glycine 0 C--O 1.24 0.508 0 O-C-N 121.832 -0.542 . . . . 25.0 113.45 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -118.01 152.12 36.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.688 . . . . 50.0 106.441 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.84 149.94 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -87.53 112.2 21.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.05 -2.204 . . . . 50.0 105.05 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -61.28 -30.44 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.594 0.961 . . . . 50.0 113.594 -171.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.2 -42.89 96.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.458 0.647 . . . . 25.0 110.521 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -72.88 -34.93 67.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.446 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -68.45 -33.53 74.35 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.791 -0.764 . . . . 25.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.49 -42.53 95.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 N-CA-C 108.305 -0.998 . . . . 50.0 108.305 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.91 -38.04 87.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 25.0 110.585 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.2 ttm -62.61 -41.68 99.14 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.951 0.5 . . . . 50.0 111.391 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mtm -71.81 -17.43 62.16 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.329 -0.232 . . . . 25.0 111.049 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.7 p 61.02 56.86 2.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 106.55 -1.648 . . . . 25.0 106.55 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -48.69 150.45 1.42 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.721 -1.581 . . . . 25.0 111.384 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.071 -0.966 . . . . 25.0 109.889 -175.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.9 -167.06 1.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -171.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -141.68 142.48 33.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.935 0.717 . . . . 50.0 112.935 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.0 mt 63.69 17.96 10.79 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.883 1.273 . . . . 25.0 112.967 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 p -114.58 160.27 19.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.878 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.6 -13.53 62.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.517 0.675 . . . . 25.0 110.619 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -63.73 -35.47 80.68 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.906 -0.317 . . . . 25.0 110.295 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.5 -37.72 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.4 81.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -63.09 -39.63 95.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.233 -0.292 . . . . 25.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -64.79 -39.1 93.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.871 -0.418 . . . . 50.0 109.871 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -66.33 -45.82 78.97 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.812 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -69.03 -31.7 70.69 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.575 -0.85 . . . . 25.0 110.27 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.26 86.47 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.62 -42.93 73.7 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.27 -0.641 . . . . 50.0 109.27 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 t -57.97 -32.35 67.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.121 0.968 . . . . 25.0 112.707 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.97 -24.85 64.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.211 0.448 . . . . 50.0 112.211 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -113.52 -2.98 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.172 0.804 . . . . 50.0 113.172 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -85.87 80.23 8.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.823 -1.547 . . . . 50.0 106.823 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -24.28 36.63 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.417 -175.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.63 -26.23 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.48 0.919 . . . . 50.0 113.48 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.8 18.4 47.88 Favored Glycine 0 C--N 1.322 -0.241 0 N-CA-C 111.336 -0.706 . . . . 25.0 111.336 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -86.75 -17.73 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.949 0.404 . . . . 25.0 110.429 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.55 14.78 72.7 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-O 119.094 -0.837 . . . . 25.0 114.205 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.15 164.51 21.46 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.132 0.966 . . . . 25.0 112.181 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -133.17 159.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 104.855 -2.276 . . . . 50.0 104.855 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -85.46 160.48 19.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 p -62.52 -24.91 67.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.045 0.926 . . . . 25.0 110.364 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -70.74 -30.96 67.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.527 -0.761 . . . . 25.0 109.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.35 -13.9 45.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 50.0 110.445 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.12 -37.85 64.79 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 122.028 -0.42 . . . . 25.0 111.179 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.72 98.02 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.343 -0.932 . . . . 50.0 111.739 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.7 80.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.78 -0.247 . . . . 25.0 111.412 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.95 -46.36 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 50.0 110.587 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.613 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -26.37 67.6 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -72.44 -11.4 60.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -5.71 43.16 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.518 0.675 . . . . 25.0 109.278 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.53 -4.64 43.58 Favored Glycine 0 N--CA 1.454 -0.14 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.185 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -140.49 137.07 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.33 0.565 . . . . 25.0 109.801 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.92 151.73 47.59 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.898 -0.408 . . . . 50.0 109.898 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.76 176.93 9.49 Favored 'Trans proline' 0 C--O 1.239 0.549 0 N-CA-C 108.636 -1.332 . . . . 50.0 108.636 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.32 144.75 53.43 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -65.37 -33.7 76.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.982 -0.448 . . . . 25.0 111.672 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -44.74 73.12 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.5 -37.06 84.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.543 0.687 . . . . 25.0 109.77 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.64 -43.45 98.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -42.54 92.27 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.62 -0.432 . . . . 25.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -58.58 -44.51 89.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.0 0.429 . . . . 25.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.26 -34.82 79.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.821 0.343 . . . . 50.0 111.366 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -68.18 -41.98 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.15 -43.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 119.049 -0.501 . . . . 25.0 112.059 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.36 -43.08 88.25 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.098 0.863 . . . . 25.0 112.336 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.301 0.572 . . . . 25.0 112.135 -175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.49 -25.59 60.52 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.072 -1.018 . . . . 50.0 108.81 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.85 -33.01 68.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.07 -26.06 68.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 122.669 1.223 . . . . 50.0 108.518 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.03 83.62 Favored Glycine 0 CA--C 1.508 -0.365 0 CA-C-N 113.525 -1.67 . . . . 25.0 115.515 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -91.82 -29.07 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.52 37.07 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -131.73 152.39 50.95 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -129.11 121.52 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 160.24 23.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.33 -0.989 . . . . 50.0 108.33 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.02 -45.6 99.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.79 -30.97 58.68 Favored 'Trans proline' 0 C--N 1.355 0.911 1 C-N-CA 112.871 -4.286 . . . . 25.0 114.243 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -31.2 63.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.916 -0.49 . . . . 50.0 110.367 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.22 -42.91 99.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.28 -39.95 81.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.638 -0.664 . . . . 25.0 110.201 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -63.95 -42.16 97.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -67.99 -33.92 75.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.448 -0.782 . . . . 25.0 110.247 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.31 -35.15 73.47 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.25 -0.648 . . . . 50.0 109.25 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.85 67.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.264 -0.272 . . . . 25.0 110.836 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -66.34 -42.14 88.56 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -69.73 -18.91 63.55 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.317 0.58 . . . . 25.0 111.861 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttp -83.72 9.81 10.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.449 0.907 . . . . 50.0 113.449 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.69 150.67 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.763 1.023 . . . . 25.0 113.763 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.4 160.96 14.58 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.09 -1.414 . . . . 25.0 109.81 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.54 98.86 1.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.592 0.71 . . . . 25.0 110.333 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -38.09 69.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.285 0.564 . . . . 25.0 111.834 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -58.91 -32.26 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.67 -0.695 . . . . 25.0 112.759 -176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -94.58 -46.59 6.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.407 0.622 . . . . 25.0 110.999 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.73 -35.53 78.93 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.96 -43.59 98.52 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.328 0.967 . . . . 25.0 109.656 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -70.75 -41.83 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.605 0.717 . . . . 25.0 109.395 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.26 -38.34 78.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.37 -33.46 63.45 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.9 22.91 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.71 -31.18 13.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -64.13 -25.95 68.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -67.48 -19.93 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -119.79 6.58 10.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -73.09 132.36 43.21 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -61.79 -49.68 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -128.43 4.91 5.67 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.015 0.436 . . . . 25.0 110.717 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.38 32.56 27.86 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 107.933 -2.067 . . . . 25.0 107.933 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -66.37 -26.01 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.04 74.77 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.947 -0.861 . . . . 25.0 110.947 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -128.42 141.55 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.381 0.672 . . . . 25.0 109.307 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 pt -141.22 168.05 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 t -74.26 150.97 39.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.29 68.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.514 0.673 . . . . 25.0 110.559 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.11 74.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.582 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -35.46 37.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.89 -45.83 93.05 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.335 -1.357 . . . . 50.0 107.335 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.021 -0.99 . . . . 25.0 111.27 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.2 -43.63 94.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.825 -0.547 . . . . 25.0 110.851 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.87 -42.9 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.12 -35.59 80.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.135 0.42 . . . . 50.0 112.135 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.5 m -62.53 -35.34 79.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.085 0.469 . . . . 25.0 110.117 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.07 -5.57 39.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 25.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.8 tp -131.17 44.2 2.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.214 -1.402 . . . . 50.0 107.214 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.99 -170.2 3.28 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 58.29 47.9 13.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.892 0.877 . . . . 25.0 111.999 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -125.53 129.93 50.72 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.7 mt 52.62 -147.76 0.45 Allowed 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.287 0.992 . . . . 25.0 109.317 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -118.87 160.54 21.75 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.911 -2.255 . . . . 25.0 104.911 171.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.58 -34.03 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.249 0.547 . . . . 50.0 110.031 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.22 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.858 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -76.88 -34.39 57.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 25.0 110.378 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.44 -33.78 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 25.0 110.536 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.7 -44.73 63.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.118 0.784 . . . . 50.0 113.118 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.53 -35.85 70.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -70.84 -27.37 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.081 -0.387 . . . . 50.0 111.023 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.44 -42.41 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -60.72 -31.18 70.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.81 -27.9 58.1 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.005 0.431 . . . . 50.0 112.156 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.29 -31.59 13.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.95 122.15 15.3 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.918 1.081 . . . . 50.0 113.918 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.61 103.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.48 -26.33 61.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.712 -1.131 . . . . 50.0 113.046 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.4 -38.77 95.29 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 115.523 0.969 . . . . 25.0 115.523 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -126.04 -8.02 6.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.451 1.649 . . . . 25.0 115.451 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.41 19.41 74.12 Favored Glycine 0 C--O 1.249 1.061 0 C-N-CA 121.357 -0.449 . . . . 25.0 113.113 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.92 169.11 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.124 0.487 . . . . 50.0 111.067 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.85 159.93 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -96.65 138.83 33.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.766 -2.679 . . . . 50.0 103.766 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -105.9 -8.25 17.77 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.1 -32.92 73.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.693 -0.855 . . . . 25.0 108.693 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -63.35 -39.36 94.34 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.8 -31.1 69.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.608 -0.683 . . . . 25.0 111.425 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.93 -46.86 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.95 -1.5 . . . . 50.0 106.95 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -61.31 -49.75 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.939 0.4 . . . . 25.0 110.264 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 ttm -63.58 -21.18 66.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.492 1.293 . . . . 50.0 114.492 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -98.94 -28.3 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.2 t -84.49 -23.35 29.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.035 0.38 . . . . 25.0 111.181 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -146.38 135.42 22.57 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.007 -0.433 . . . . 25.0 110.767 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt . . . . . 0 C--O 1.246 0.891 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 178.669 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -108.77 -178.61 3.63 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 61.94 28.48 17.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.175 0.99 . . . . 50.0 111.86 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.2 mt -103.16 169.96 8.25 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.6 p -76.57 156.06 33.12 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.983 -1.117 . . . . 25.0 107.983 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -61.9 -29.81 70.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.792 0.664 . . . . 25.0 112.792 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -34.08 75.22 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.079 -0.388 . . . . 25.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.93 -36.72 64.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.62 -36.71 78.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.48 93.37 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.75 -42.91 89.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.047 0.385 . . . . 25.0 110.561 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -62.77 -40.13 96.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.705 -0.398 . . . . 50.0 110.0 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -70.11 -41.17 74.35 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.604 -0.438 . . . . 25.0 111.405 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -64.15 -44.24 92.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.65 78.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.088 0.471 . . . . 25.0 110.834 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.02 -48.57 57.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.145 0.498 . . . . 50.0 110.091 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.5 p -70.37 -14.74 62.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.28 -25.84 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.95 -26.29 8.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 50.0 112.591 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -79.73 82.06 5.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.686 0.755 . . . . 50.0 109.168 174.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -97.47 -1.79 43.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.264 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.47 -28.05 16.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.572 0.701 . . . . 50.0 110.247 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.79 9.37 61.19 Favored Glycine 0 C--O 1.23 -0.156 0 CA-C-N 115.344 -0.843 . . . . 25.0 114.803 173.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -73.11 -15.54 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.07 0.435 . . . . 25.0 111.736 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.74 16.77 65.03 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.7 p -132.75 165.05 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.382 0.611 . . . . 25.0 111.869 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -135.29 164.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 104.168 -2.531 . . . . 50.0 104.168 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.5 p -92.46 161.94 14.43 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 p -58.34 -30.67 66.92 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.557 0.694 . . . . 25.0 110.194 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -59.89 -35.08 74.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.919 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -97.12 -5.91 36.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -53.46 -46.37 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 25.0 110.96 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.28 91.87 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.696 -0.764 . . . . 50.0 112.154 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -33.24 66.78 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.123 -0.634 . . . . 25.0 112.016 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.04 -44.34 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 108.423 -0.955 . . . . 50.0 108.423 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.1 mtp -61.95 -41.06 97.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -57.41 -35.91 70.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.804 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.8 t -68.09 -22.6 64.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.14 6.65 48.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.524 0.678 . . . . 25.0 109.481 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 -4.74 82.72 Favored Glycine 0 CA--C 1.517 0.176 0 CA-C-N 115.883 -0.599 . . . . 25.0 114.305 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -91.15 127.07 36.43 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.03 -0.688 . . . . 25.0 109.731 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.84 114.21 56.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 105.39 -2.078 . . . . 50.0 105.39 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.2 153.15 45.87 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 115.723 -2.384 . . . . 50.0 112.511 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -71.99 165.5 24.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.601 -1.629 . . . . 25.0 106.601 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -33.81 76.75 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.61 70.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.19 -41.9 89.62 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.082 0.468 . . . . 25.0 110.72 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.66 -42.89 99.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.089 -0.505 . . . . 25.0 109.891 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.66 -44.4 74.16 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.05 -0.26 . . . . 25.0 110.611 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.49 -44.52 84.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.3 -32.69 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.151 -0.477 . . . . 50.0 111.896 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.86 -39.31 77.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 119.236 -0.411 . . . . 25.0 110.463 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.09 -37.75 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.745 0.702 . . . . 25.0 111.83 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -58.3 -38.38 76.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.663 . . . . 25.0 111.064 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -88.34 -25.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.229 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.95 -32.33 73.5 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.625 -0.88 . . . . 50.0 108.625 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -34.59 78.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.959 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.47 -26.51 51.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.716 1.246 . . . . 50.0 110.391 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 5.15 62.35 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -88.45 -25.94 22.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.644 1.222 . . . . 25.0 111.349 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.77 84.5 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 120.84 -0.695 . . . . 25.0 114.76 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.7 p -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.015 0.407 . . . . 25.0 110.846 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.6 mt -134.26 123.39 43.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.586 -1.265 . . . . 25.0 107.586 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.53 163.35 21.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.943 0.402 . . . . 50.0 110.066 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.17 -46.96 99.63 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -66.33 -31.0 44.43 Favored 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 112.816 -4.323 . . . . 25.0 114.129 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.56 -28.65 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.609 -0.682 . . . . 50.0 110.702 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.31 -45.77 92.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.24 -41.5 89.94 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 122.103 -0.373 . . . . 25.0 111.004 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -67.96 -42.93 80.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.2 ttp -63.48 -40.43 97.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.637 -0.664 . . . . 25.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 mmt -67.24 -27.94 67.64 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.989 -0.444 . . . . 50.0 110.493 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.15 -27.48 64.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -63.7 -41.46 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.193 0.52 . . . . 25.0 111.703 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -87.86 2.16 52.17 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.802 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.3 ttt -68.35 -20.85 64.75 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.613 -0.267 . . . . 50.0 111.575 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.33 147.29 36.24 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.03 -148.98 0.43 Allowed 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.178 1.177 . . . . 25.0 114.178 -173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.11 -16.91 61.54 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.261 1.024 . . . . 25.0 112.282 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.31 -23.51 23.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.158 0.504 . . . . 25.0 111.161 176.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -56.81 -33.01 66.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -66.89 -40.0 87.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.139 -0.351 . . . . 25.0 111.744 -176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.13 -16.95 33.94 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.979 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.35 -38.99 92.98 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.35 -39.37 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.227 -0.442 . . . . 25.0 109.919 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.34 -35.08 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 111.549 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.2 59.8 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.563 0.22 . . . . 25.0 111.536 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -95.96 -30.94 13.33 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -64.25 -27.32 68.97 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -68.05 -13.82 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.832 -0.543 . . . . 25.0 111.611 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.44 -2.06 29.48 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.18 85.54 7.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.827 0.822 . . . . 25.0 109.02 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.64 71.66 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.49 -7.38 22.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -173.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.86 29.65 64.82 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -112.68 1.79 15.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -175.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.67 1.23 90.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 116.379 1.312 . . . . 25.0 116.379 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -104.39 137.69 41.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.469 1.135 . . . . 25.0 113.664 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.7 pt -136.98 162.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.4 t -79.65 151.74 30.38 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.245 -0.91 . . . . 25.0 109.021 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.63 69.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.72 83.77 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 110.313 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -76.14 -32.4 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.38 -47.79 82.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -64.74 -30.08 71.08 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.987 -0.445 . . . . 25.0 110.955 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.88 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -44.46 96.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.992 0.738 . . . . 50.0 112.992 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.8 t -71.21 -26.71 63.06 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.583 -0.698 . . . . 25.0 110.49 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -72.31 -31.62 65.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.976 -0.452 . . . . 25.0 110.662 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.72 -19.01 61.47 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.94 114.66 2.12 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.393 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.13 87.24 0.77 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.58 0.705 . . . . 25.0 109.526 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -123.43 1.06 8.95 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.936 -0.575 . . . . 25.0 112.503 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.9 167.5 16.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 -174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.19 148.89 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.306 0.379 . . . . 25.0 110.245 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.23 -47.19 87.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 50.0 110.095 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.43 -32.58 71.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.851 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -62.8 -29.35 70.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.732 0.813 . . . . 25.0 111.375 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.84 -42.58 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.933 0.873 . . . . 25.0 109.618 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -64.23 -32.06 73.5 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.857 1.429 . . . . 50.0 114.857 -174.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.42 -28.8 67.27 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.443 0.535 . . . . 25.0 112.443 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.0 mtm -76.67 -36.57 57.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.699 0.762 . . . . 50.0 109.375 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.72 -27.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.11 64.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.8 -27.65 17.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.438 0.637 . . . . 50.0 110.739 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.27 90.22 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -151.49 -179.38 7.34 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.622 1.712 . . . . 50.0 115.622 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.41 136.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.932 -1.031 . . . . 25.0 109.225 -176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.24 -24.04 6.65 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.184 1.55 . . . . 50.0 115.184 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.83 -22.08 58.47 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-O 119.611 -0.549 . . . . 25.0 114.062 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -106.81 -28.69 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.425 0.612 . . . . 25.0 111.963 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.65 16.08 28.61 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 118.702 2.241 . . . . 25.0 118.702 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.73 137.16 52.88 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.136 1.468 . . . . 50.0 112.543 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.11 160.42 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -103.43 129.22 50.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 104.627 -2.36 . . . . 50.0 104.627 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -77.89 -24.01 48.58 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -172.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.76 -39.57 91.18 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.022 -0.424 . . . . 25.0 111.753 -176.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -84.22 -27.67 27.81 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.726 -0.608 . . . . 25.0 110.024 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -71.86 -36.41 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.938 -0.705 . . . . 25.0 111.502 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.02 -26.02 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.261 -1.014 . . . . 50.0 108.261 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -76.16 -40.72 51.85 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.7 ttm -58.22 -48.38 80.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.473 0.309 . . . . 50.0 111.199 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.21 -4.25 13.36 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.7 t -126.48 14.23 7.63 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.784 -0.572 . . . . 25.0 111.808 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.02 149.68 47.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.575 0.226 . . . . 25.0 110.481 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mptt . . . . . 0 C--O 1.251 1.153 0 N-CA-C 103.956 -2.609 . . . . 25.0 103.956 177.397 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.81 54.93 10.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 164.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.15 162.71 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.33 -0.85 . . . . 50.0 111.071 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.73 134.39 56.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -77.26 157.14 30.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.653 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -62.7 -31.35 72.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.89 -48.96 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.39 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.17 -24.99 57.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.598 -0.841 . . . . 25.0 110.637 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.99 -34.05 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.35 87.17 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.978 -0.451 . . . . 25.0 109.835 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.53 -43.02 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.011 0.369 . . . . 25.0 110.259 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.38 -44.0 79.79 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.919 -0.771 . . . . 50.0 108.919 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.95 -45.09 83.04 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.923 -0.58 . . . . 25.0 112.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -77.94 -34.27 51.27 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.847 -0.533 . . . . 25.0 112.376 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.66 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -71.5 -45.89 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 50.0 110.358 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -64.97 -20.68 66.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.15 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.71 -22.45 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -116.92 -2.16 11.84 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.909 0.707 . . . . 50.0 112.909 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.51 98.35 6.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.664 -1.235 . . . . 50.0 107.664 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -69.8 -27.0 64.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -109.77 -27.82 9.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.013 1.486 . . . . 50.0 115.013 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.84 14.56 39.62 Favored Glycine 0 C--O 1.228 -0.231 0 N-CA-C 111.988 -0.445 . . . . 25.0 111.988 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -80.48 -7.23 59.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.895 0.378 . . . . 25.0 111.717 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.87 22.22 50.3 Favored Glycine 0 C--O 1.241 0.554 0 C-N-CA 121.301 -0.476 . . . . 25.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -131.56 162.85 29.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.462 0.649 . . . . 25.0 112.384 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -134.09 167.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 104.115 -2.55 . . . . 50.0 104.115 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.3 p -88.47 167.48 13.41 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.545 -0.862 . . . . 25.0 108.676 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 p -58.48 -31.79 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.204 0.526 . . . . 25.0 110.886 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -65.87 -39.71 90.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.727 0.775 . . . . 25.0 110.619 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.56 -8.79 58.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.014 -0.994 . . . . 50.0 112.848 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.98 -46.4 71.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.073 0.463 . . . . 25.0 111.173 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -36.88 91.28 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.668 -0.777 . . . . 50.0 112.551 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.533 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -68.01 -38.67 82.89 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.429 -0.453 . . . . 25.0 112.021 -178.313 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.64 -45.18 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.234 -0.654 . . . . 50.0 109.234 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 mtt -60.57 -43.16 97.59 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.232 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.31 -26.2 65.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -72.28 -22.19 61.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.812 0.339 . . . . 25.0 110.585 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.7 4.04 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 25.0 109.808 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.88 1.28 90.21 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.258 -0.496 . . . . 25.0 112.644 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -84.95 135.23 34.13 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -106.29 92.29 6.66 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 121.074 0.464 . . . . 50.0 110.856 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.19 162.58 33.89 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 116.863 -1.624 . . . . 50.0 109.312 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 p -84.53 158.64 20.89 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.569 -1.641 . . . . 25.0 106.569 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.61 -30.36 69.07 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.51 -0.744 . . . . 25.0 110.435 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.97 84.06 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.027 0.441 . . . . 25.0 110.334 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.32 -46.43 89.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.05 -42.42 89.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.35 -53.05 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.512 0.196 . . . . 25.0 111.225 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.51 -35.99 78.26 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.653 -0.419 . . . . 25.0 111.817 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 mtt -64.71 -34.72 78.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 50.0 110.118 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -70.82 -38.97 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.07 -37.78 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 117.917 0.326 . . . . 25.0 110.54 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.8 -38.31 87.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.629 -0.669 . . . . 25.0 111.289 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.95 -33.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 25.0 110.245 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.76 -28.89 67.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 50.0 110.271 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.81 78.87 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.762 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.93 -25.28 40.55 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 122.104 0.954 . . . . 50.0 108.59 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.23 82.11 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.223 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -71.1 -28.74 64.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.191 0.52 . . . . 25.0 112.398 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.96 -9.61 1.43 Allowed Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.538 1.375 . . . . 25.0 116.538 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -132.75 165.79 23.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.694 0.747 . . . . 25.0 110.795 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.6 125.02 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.75 168.67 18.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.45 0.643 . . . . 50.0 111.016 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.08 -47.78 96.08 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 114.302 1.223 . . . . 25.0 114.302 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.93 -25.4 44.93 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 113.069 -4.154 . . . . 25.0 113.605 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.52 -31.4 63.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.863 -0.523 . . . . 50.0 109.846 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.16 -41.88 99.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.69 -33.64 76.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 mmt -62.86 -37.76 88.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.63 -0.669 . . . . 25.0 109.779 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.8 mmt -67.41 -34.01 76.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.983 0.421 . . . . 50.0 110.877 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.32 67.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -87.26 1.95 51.6 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.647 0.736 . . . . 25.0 111.739 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttp -89.93 9.0 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 50.0 109.885 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -80.46 72.64 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.703 0.763 . . . . 25.0 111.509 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -64.01 -2.07 1.79 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.79 2.515 . . . . 25.0 117.79 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -91.25 -22.89 20.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.729 -1.123 . . . . 25.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -96.02 0.36 51.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.3 t -44.8 -39.0 4.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 117.093 2.257 . . . . 25.0 117.093 -170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -61.59 -38.69 88.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.318 -0.864 . . . . 25.0 111.781 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.08 -26.83 18.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.977 -0.452 . . . . 25.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.98 -41.4 96.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.78 -38.94 83.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.16 -40.87 94.92 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.764 -0.585 . . . . 25.0 109.956 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.87 -39.35 90.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 25.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.48 81.25 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.819 0.342 . . . . 25.0 111.087 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.26 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.57 -19.37 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -104.9 9.72 34.58 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.988 0.423 . . . . 25.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -75.73 114.06 13.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.382 . . . . 25.0 110.169 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -68.92 -44.7 72.55 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -114.56 0.43 13.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -174.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.49 58.42 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 107.796 -2.122 . . . . 25.0 107.796 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -119.07 9.8 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.38 0.672 . . . . 25.0 112.673 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.05 7.59 85.17 Favored Glycine 0 C--O 1.235 0.181 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.05 132.25 49.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.311 1.055 . . . . 25.0 112.406 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 pt -125.32 157.16 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -71.86 150.88 43.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.518 -0.738 . . . . 25.0 110.104 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.84 77.61 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.107 0.479 . . . . 25.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -75.82 -35.78 59.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.62 -41.92 99.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -61.0 -39.15 88.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.66 -49.72 74.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.82 -39.06 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 117.971 0.351 . . . . 25.0 110.087 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -59.45 -41.01 88.65 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.92 -0.488 . . . . 50.0 110.788 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -69.71 -30.56 68.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.851 0.834 . . . . 25.0 110.303 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -21.6 61.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.985 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -1.49 14.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.42 -174.41 44.65 Favored Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.65 -0.786 . . . . 25.0 112.85 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.45 148.08 45.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -134.21 151.11 51.15 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.64 -36.58 60.14 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.259 0.349 . . . . 25.0 111.933 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.87 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.506 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.51 62.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.593 -1.262 . . . . 50.0 107.593 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -28.57 69.61 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.324 -0.853 . . . . 25.0 109.853 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.5 -25.6 65.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.681 0.753 . . . . 25.0 110.326 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.84 -42.52 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.879 -0.6 . . . . 50.0 112.6 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -61.06 -30.11 70.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.033 0.444 . . . . 25.0 111.423 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.8 ttp -76.53 -39.24 53.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 50.0 110.98 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.17 -40.38 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.128 -0.358 . . . . 25.0 110.956 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -64.67 -10.63 28.33 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.867 1.802 . . . . 25.0 115.867 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.73 -31.39 63.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.334 0.587 . . . . 50.0 109.577 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.62 157.65 20.3 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.436 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.98 140.72 56.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 50.0 109.726 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -124.62 130.68 73.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.38 163.15 28.47 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 123.556 0.742 . . . . 50.0 111.407 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.17 66.4 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 114.841 0.696 . . . . 25.0 114.841 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -80.28 7.06 10.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.108 0.954 . . . . 25.0 110.846 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 35.01 42.37 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 110.659 -0.976 . . . . 25.0 110.659 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -116.25 155.75 27.79 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.23 153.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 130.42 35.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.691 -1.966 . . . . 50.0 105.691 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -82.99 -26.0 31.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.438 1.644 . . . . 50.0 115.438 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -70.83 -37.22 73.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.331 0.969 . . . . 25.0 111.611 -175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -74.42 -33.81 63.07 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -42.43 79.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.84 -35.89 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.494 -0.754 . . . . 50.0 111.539 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -73.39 -29.3 62.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.705 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.1 ttp -63.97 -30.91 71.95 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.892 -0.505 . . . . 50.0 110.212 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.3 mtt -63.29 -18.42 63.58 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.76 0.314 . . . . 25.0 111.785 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.1 p -104.58 -1.83 25.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.27 149.91 38.69 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -80.2 95.96 6.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.367 -2.456 . . . . 25.0 104.367 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -156.14 163.15 39.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.435 -172.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mp -80.19 157.59 26.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.46 ' HG1' ' H ' ' A' ' 8' ' ' GLN . 72.0 p -127.1 165.63 19.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 177.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.36 -33.49 73.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.773 0.321 . . . . 25.0 110.252 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -63.07 -43.28 99.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.525 0.679 . . . . 25.0 109.492 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' H ' ' HG1' ' A' ' 5' ' ' THR . 4.0 mm-40 -68.64 -30.14 68.79 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.126 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.4 -37.29 77.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.01 90.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.03 -42.42 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.897 0.38 . . . . 25.0 110.609 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.02 -36.99 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.264 -0.643 . . . . 50.0 109.264 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -65.26 -43.6 90.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.98 -43.22 93.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.5 87.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.053 0.454 . . . . 25.0 111.724 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.291 0.567 . . . . 50.0 109.579 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -63.42 -20.39 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.52 -24.78 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.023 0.379 . . . . 50.0 112.023 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.54 -1.56 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.0 1.111 . . . . 50.0 114.0 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -72.42 104.79 3.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.106 -1.813 . . . . 50.0 106.106 172.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -68.19 -33.99 75.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -116.44 -25.21 7.55 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 115.835 1.791 . . . . 50.0 115.835 -169.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 12.14 33.96 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.494 -0.643 . . . . 25.0 111.494 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.23 -7.85 59.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.963 0.411 . . . . 25.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.55 27.78 46.07 Favored Glycine 0 C--O 1.235 0.201 0 C-N-CA 121.085 -0.579 . . . . 25.0 112.289 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -131.55 158.47 40.88 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -137.06 175.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 104.67 -2.344 . . . . 50.0 104.67 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -98.79 163.84 12.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 p -56.11 -42.55 77.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.423 0.63 . . . . 25.0 110.691 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -63.72 -37.5 87.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.068 0.461 . . . . 25.0 111.826 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -75.45 -6.89 52.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.12 -40.44 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.457 0.646 . . . . 25.0 109.721 174.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.07 -33.1 86.33 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 111.419 -0.672 . . . . 50.0 111.419 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -37.63 73.46 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.241 -0.564 . . . . 25.0 111.253 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.97 -47.49 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.5 mmm -58.22 -44.36 88.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.406 0.622 . . . . 25.0 109.85 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.07 -37.18 71.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.687 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -73.84 -22.46 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.623 -0.431 . . . . 25.0 112.117 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.02 -4.6 50.89 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.71 -4.73 36.84 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 116.313 1.285 . . . . 25.0 116.313 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -133.31 123.13 24.9 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.558 1.179 . . . . 25.0 110.015 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -103.08 124.5 38.22 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 107.79 -1.189 . . . . 50.0 107.79 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.85 161.25 36.5 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.582 -1.145 . . . . 50.0 110.508 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -73.85 165.38 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -57.01 -33.49 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 25.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.05 57.48 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.503 -0.317 . . . . 25.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.31 -35.44 80.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 25.0 109.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.6 -48.8 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.48 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -63.87 -37.74 88.52 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.163 -0.215 . . . . 25.0 111.154 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.51 -39.32 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.834 0.35 . . . . 25.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.1 mtt -72.62 -37.62 68.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 50.0 111.052 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.52 -31.82 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.84 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.32 -35.24 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.971 -0.456 . . . . 25.0 112.189 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.66 -28.24 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.569 -0.707 . . . . 25.0 111.139 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.67 -31.06 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.605 0.716 . . . . 25.0 110.676 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.5 -14.1 47.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.098 -0.501 . . . . 50.0 110.694 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.14 74.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.422 -0.354 . . . . 25.0 110.681 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -95.74 -26.96 15.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.929 0.871 . . . . 50.0 109.188 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.98 84.47 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.246 -0.888 . . . . 25.0 115.045 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -66.94 -25.97 66.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 117.686 0.743 . . . . 25.0 112.393 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.28 10.81 82.06 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 121.708 -0.282 . . . . 25.0 113.461 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.7 p -131.3 156.79 44.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.082 0.441 . . . . 25.0 110.779 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -135.75 122.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -83.26 174.27 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.106 0.955 . . . . 50.0 108.912 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.1 -48.73 87.54 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.69 -23.95 35.63 Favored 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 112.713 -4.391 . . . . 25.0 113.704 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -70.81 -37.93 73.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 50.0 109.618 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -59.77 -44.64 93.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.88 -37.16 83.87 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.119 -0.363 . . . . 25.0 110.672 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -64.6 -39.3 93.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 ttm -64.33 -38.97 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.904 0.383 . . . . 25.0 110.892 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.1 mmt -66.88 -28.99 68.78 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.815 0.817 . . . . 50.0 109.991 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.97 -7.8 59.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.414 1.086 . . . . 25.0 113.676 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.22 -35.38 62.36 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.83 -0.544 . . . . 25.0 111.363 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.01 -16.76 54.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.07 0.548 . . . . 25.0 112.448 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.0 ttp -112.98 6.04 17.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.373 0.669 . . . . 50.0 111.34 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -92.24 -34.5 14.24 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.99 167.86 16.09 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -174.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.6 m -126.95 104.55 8.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.323 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -45.5 65.55 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.643 1.349 . . . . 25.0 114.643 -175.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -72.99 -38.33 66.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -95.07 -35.46 11.91 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 114.549 1.315 . . . . 25.0 114.549 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.18 -50.05 6.21 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -171.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.74 -39.37 91.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.24 -42.29 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 121.751 -0.593 . . . . 25.0 109.536 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -68.83 -39.6 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.193 -0.317 . . . . 25.0 111.13 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -75.76 -25.53 56.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.93 77.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.548 -0.72 . . . . 25.0 111.234 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -69.09 -28.42 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.284 0.564 . . . . 25.0 110.059 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -77.55 -10.38 59.46 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.41 -23.54 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -98.46 -4.99 33.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.048 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -74.98 151.21 38.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -49.91 4.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -174.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -128.94 10.95 6.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.12 0.486 . . . . 25.0 111.658 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.88 21.47 36.19 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 108.155 -1.978 . . . . 25.0 108.155 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.65 -5.78 39.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.94 -3.25 85.92 Favored Glycine 0 N--CA 1.462 0.388 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -138.89 159.54 41.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.638 0.719 . . . . 25.0 110.913 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -135.76 164.61 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 m -78.98 154.3 29.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.97 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.946 0.403 . . . . 25.0 110.876 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.08 95.53 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 109.809 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.46 -38.45 71.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.4 -41.64 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.01 -0.737 . . . . 50.0 109.01 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -38.9 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -65.89 -48.45 71.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.345 -0.242 . . . . 25.0 110.345 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.96 -42.69 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.947 0.403 . . . . 25.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.4 mtt -63.24 -33.44 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.73 -0.606 . . . . 50.0 111.157 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.9 m -73.5 -35.46 65.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.91 -36.49 82.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.22 -34.39 78.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.394 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.37 146.44 5.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.667 -0.777 . . . . 25.0 113.425 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.88 159.39 32.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -134.75 156.87 48.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.66 -40.22 17.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -118.88 164.74 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.451 0.643 . . . . 25.0 109.854 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.68 -24.38 41.8 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.33 -35.08 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.3 -28.28 69.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.834 0.35 . . . . 25.0 111.434 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.67 -43.38 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -29.75 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.16 -38.18 79.12 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 110.186 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtm -79.3 -27.83 42.2 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.068 -0.395 . . . . 50.0 111.038 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.95 -36.83 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -61.91 -34.52 76.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.383 -0.372 . . . . 25.0 111.289 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -83.04 -24.15 32.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.784 1.031 . . . . 50.0 113.784 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 165.22 8.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.099 -0.955 . . . . 25.0 112.652 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -79.52 47.61 0.84 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.115 0.966 . . . . 50.0 112.727 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.0 pt -70.09 158.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.181 0.991 . . . . 25.0 113.513 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -149.69 178.12 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 104.138 -2.541 . . . . 50.0 104.138 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.4 -26.82 57.31 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 116.057 1.183 . . . . 25.0 116.057 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.98 -5.48 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.559 0.679 . . . . 25.0 112.256 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.54 38.89 86.93 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.781 -0.723 . . . . 25.0 114.142 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -118.03 153.62 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.5 m -145.03 150.65 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.639 0.776 . . . . 25.0 109.057 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.95 145.53 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.825 -1.176 . . . . 50.0 107.825 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -93.55 -23.51 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.311 0.856 . . . . 50.0 113.311 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.66 -44.3 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -173.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.14 -32.71 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.942 0.401 . . . . 25.0 109.996 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -69.37 -40.25 77.56 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.06 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.27 -47.1 93.72 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 107.074 -1.454 . . . . 50.0 107.074 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.69 -39.7 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.428 0.291 . . . . 25.0 110.977 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.08 -39.68 93.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.905 0.383 . . . . 50.0 111.799 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.5 mtt -82.31 -33.45 28.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.601 ' HG1' ' H ' ' A' ' 148' ' ' LYS . 53.0 p -95.24 -10.5 30.19 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 58.07 30.26 19.02 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.873 0.869 . . . . 25.0 109.79 -173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.601 ' H ' ' HG1' ' A' ' 146' ' ' THR . 84.2 tttt . . . . . 0 C--O 1.239 0.523 0 CA-C-O 117.771 -1.109 . . . . 25.0 112.181 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.581 ' H ' ' HA ' ' A' ' 76' ' ' MET . 6.8 t0 -77.94 -8.82 58.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.285 0.634 . . . . 25.0 111.498 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 58.29 35.41 24.88 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.858 0.863 . . . . 50.0 109.661 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.74 134.8 56.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.347 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -114.97 165.72 12.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.85 -30.74 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.854 0.359 . . . . 25.0 111.246 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.61 -42.17 99.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 25.0 109.747 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -73.54 -30.38 63.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.105 -0.372 . . . . 25.0 110.346 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.44 -37.19 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.893 -0.505 . . . . 25.0 109.792 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.77 -39.92 93.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.97 0.35 . . . . 25.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.826 -0.546 . . . . 50.0 110.518 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.39 99.62 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.305 0.642 . . . . 25.0 110.797 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.29 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.874 0.368 . . . . 25.0 111.154 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.77 -45.56 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.631 0.729 . . . . 50.0 110.223 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -68.45 -22.06 64.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.523 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -25.64 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.75 0.278 . . . . 50.0 111.75 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -109.45 -4.45 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.336 0.495 . . . . 50.0 112.336 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.52 104.13 8.93 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.233 -1.025 . . . . 50.0 108.233 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -69.36 -21.65 63.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.23 -27.74 4.82 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.285 1.587 . . . . 50.0 115.285 -173.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 13.79 39.32 Favored Glycine 0 C--N 1.322 -0.248 0 C-N-CA 121.518 -0.373 . . . . 25.0 113.291 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.86 -11.74 59.86 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.948 0.404 . . . . 25.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.5 27.84 21.25 Favored Glycine 0 C--O 1.235 0.175 0 C-N-CA 121.445 -0.407 . . . . 25.0 113.409 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -134.59 149.89 50.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.81 173.42 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 105.581 -2.007 . . . . 50.0 105.581 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.7 p -94.96 160.02 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -61.4 -30.48 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.676 0.751 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -73.42 -31.35 63.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.232 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.13 -12.68 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.607 -0.269 . . . . 50.0 111.236 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.29 -39.47 69.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.926 0.393 . . . . 25.0 109.97 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.23 -42.28 99.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.495 -0.859 . . . . 50.0 111.732 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -41.83 67.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.464 -0.433 . . . . 25.0 111.674 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.25 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.964 -0.384 . . . . 50.0 109.964 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -62.42 -22.68 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -64.57 -23.89 67.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.186 -0.321 . . . . 25.0 111.11 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.91 4.88 35.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.189 0.518 . . . . 25.0 110.768 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 5.8 82.72 Favored Glycine 0 C--O 1.229 -0.217 0 C-N-CA 121.425 -0.417 . . . . 25.0 113.917 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -130.29 130.91 45.11 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -135.77 148.18 64.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 50.0 108.514 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -77.48 174.12 13.18 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 110.104 -0.768 . . . . 50.0 110.104 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' HG1' ' H ' ' A' ' 47' ' ' GLU . 76.4 p -71.21 163.89 26.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.33 61.02 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' H ' ' HG1' ' A' ' 44' ' ' THR . 38.9 mt-10 -62.57 -33.19 74.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.266 0.555 . . . . 25.0 110.271 -179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.95 -41.61 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -68.22 -39.4 82.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -42.71 95.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.341 0.591 . . . . 25.0 109.902 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mtt -64.75 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 50.0 111.877 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.64 -43.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.11 -39.62 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 122.126 0.17 . . . . 25.0 111.284 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.41 -31.36 44.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -14.79 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -19.23 65.77 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.21 -0.931 . . . . 50.0 110.67 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.28 -24.96 61.18 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.2 -21.64 66.64 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.29 1.043 . . . . 50.0 111.869 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.71 5.98 88.38 Favored Glycine 0 C--O 1.229 -0.168 0 CA-C-N 113.649 -1.614 . . . . 25.0 112.555 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -105.3 -27.93 11.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.44 87.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.762 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.7 p -120.88 159.06 26.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.599 0.36 . . . . 25.0 111.071 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.92 119.93 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 104.401 -2.444 . . . . 25.0 104.401 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.64 173.92 8.74 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.659 -1.608 . . . . 50.0 106.659 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.16 -42.94 84.2 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.06 -26.94 50.2 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 112.805 -4.33 . . . . 25.0 114.108 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.59 -35.08 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.187 0.994 . . . . 50.0 109.055 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.14 -39.76 90.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.19 -38.31 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -67.07 -24.46 65.97 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.951 0.796 . . . . 25.0 111.01 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttm -63.62 -27.32 69.15 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.626 -0.672 . . . . 25.0 109.191 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -87.42 -32.82 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.755 -0.461 . . . . 50.0 109.755 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.89 76.7 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.279 0.562 . . . . 25.0 109.966 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -61.54 -34.8 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.809 -0.557 . . . . 25.0 110.792 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -72.38 -31.88 65.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.633 0.73 . . . . 25.0 109.322 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.581 ' HA ' ' H ' ' A' ' 2' ' ' ASP . 6.8 ttp -71.71 -17.99 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.087 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? 61.92 53.49 3.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.23 1.012 . . . . 25.0 109.768 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.65 82.91 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -60.64 -24.99 65.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.353 1.612 . . . . 25.0 115.353 -171.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.48 -35.47 77.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.698 0.285 . . . . 25.0 111.013 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -94.98 -47.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.94 -45.86 7.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 117.224 2.305 . . . . 25.0 117.224 -173.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -91.94 -28.92 16.95 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 117.308 2.336 . . . . 25.0 117.308 -168.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.43 -38.33 80.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.484 1.038 . . . . 25.0 111.337 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.57 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.447 0.641 . . . . 25.0 109.723 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -73.29 -35.99 66.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 25.0 110.856 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -28.08 69.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.646 0.378 . . . . 25.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.96 72.0 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.754 -0.591 . . . . 25.0 111.669 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.99 -23.07 28.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.11 0.481 . . . . 25.0 110.593 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -67.63 -15.24 63.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.424 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.1 -25.4 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -104.38 4.42 33.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.61 129.16 39.73 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.091 0.472 . . . . 25.0 110.414 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -72.03 -42.92 65.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -128.83 -5.18 5.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.69 5.05 63.3 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.465 -0.398 . . . . 25.0 112.641 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -96.13 11.8 33.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.417 0.609 . . . . 25.0 112.293 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.87 16.09 56.87 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.855 -0.688 . . . . 25.0 114.345 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.27 142.69 50.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 pt -135.62 164.23 33.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 N-CA-C 104.89 -2.263 . . . . 25.0 104.89 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.581 ' HG ' ' CD ' ' A' ' 104' ' ' GLU . 31.6 p -81.83 162.95 22.65 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 120.759 -1.213 . . . . 25.0 108.363 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.15 68.72 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.545 0.688 . . . . 25.0 109.289 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.53 80.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' CD ' ' HG ' ' A' ' 101' ' ' SER . 2.0 mp0 -68.08 -35.71 78.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 177.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.4 tp -58.58 -47.74 83.28 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.976 -0.75 . . . . 50.0 108.976 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -67.56 -35.98 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 119.832 -0.747 . . . . 25.0 110.447 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.22 -49.5 76.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.85 0.295 . . . . 25.0 110.216 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.3 -45.79 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ttm -61.32 -41.92 97.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.702 1.001 . . . . 50.0 113.702 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.9 t -78.08 -24.6 47.56 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.611 -0.681 . . . . 25.0 110.605 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.17 -31.77 66.25 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.1 -0.375 . . . . 25.0 110.721 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.5 -32.56 12.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.97 12.38 10.73 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.975 1.55 . . . . 25.0 116.975 -176.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.02 46.05 19.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -55.97 115.94 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.59 -42.62 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -118.87 156.62 29.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -67.63 -37.77 82.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.34 -30.8 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.57 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.73 -28.7 67.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.473 0.654 . . . . 25.0 111.044 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.01 -41.5 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 25.0 109.671 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.69 -44.16 77.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.993 0.738 . . . . 50.0 112.993 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.01 -36.24 67.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 25.0 112.177 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 47.2 ttp -73.39 -38.68 65.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 50.0 110.677 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.27 -35.29 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.222 -0.445 . . . . 25.0 109.9 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -55.37 -32.01 62.23 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.94 -36.49 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.967 0.729 . . . . 50.0 112.967 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.75 -19.52 35.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -136.94 163.96 29.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.78 1.03 . . . . 50.0 113.78 -174.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.3 21.15 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.14 99.74 0.1 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.791 1.775 . . . . 50.0 115.791 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.48 -0.23 76.53 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 115.295 0.878 . . . . 25.0 115.295 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -106.69 -24.56 12.08 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.234 1.017 . . . . 25.0 112.236 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.3 45.89 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.866 -0.607 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -117.79 130.57 56.38 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.302 0.551 . . . . 50.0 111.645 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.63 160.61 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.764 0.426 . . . . 25.0 109.979 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -96.41 152.41 18.63 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.979 -1.859 . . . . 50.0 105.979 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -104.35 -5.98 21.24 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.799 0.666 . . . . 50.0 112.799 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.5 -48.92 70.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.59 0.71 . . . . 25.0 110.498 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -68.89 -31.88 71.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.572 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -31.72 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.325 -0.55 . . . . 25.0 111.704 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.82 -46.57 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 122.071 -0.393 . . . . 50.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -31.82 70.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.3 ttp -70.07 -29.34 66.3 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.852 -0.53 . . . . 50.0 111.944 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.8 mtt -79.19 -4.18 49.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.364 0.875 . . . . 25.0 113.364 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.8 t -117.26 34.15 5.27 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.15 144.94 11.38 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.335 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.5 tttt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 113.845 -1.525 . . . . 25.0 112.34 -176.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.42 -169.11 2.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -71.07 -18.41 62.55 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.84 131.85 39.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -72.26 154.32 41.05 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -63.67 -30.15 71.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.056 -0.403 . . . . 25.0 111.841 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -68.27 -36.34 79.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.254 -0.279 . . . . 25.0 110.55 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.71 -36.83 73.43 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.93 -37.1 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.12 93.62 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.277 -0.264 . . . . 25.0 110.947 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.01 -45.27 93.31 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.32 -40.21 95.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 50.0 109.828 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -61.74 -44.56 96.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.618 0.229 . . . . 25.0 111.618 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -68.74 -39.21 80.47 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.895 -0.722 . . . . 25.0 111.017 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.02 79.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 25.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.62 -46.39 66.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.534 0.683 . . . . 50.0 109.312 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.99 -17.1 64.77 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.66 -32.34 71.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.167 0.508 . . . . 50.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -105.62 -12.2 16.04 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -81.71 81.83 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.402 1.096 . . . . 50.0 108.075 175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.92 -9.51 58.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.717 -1.129 . . . . 25.0 113.093 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -108.7 -27.45 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.57 16.56 42.26 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.619 -0.719 . . . . 25.0 112.039 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.14 -16.88 59.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.87 0.366 . . . . 25.0 111.814 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 17.17 73.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 121.257 -0.497 . . . . 25.0 112.173 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.5 p -132.7 165.16 25.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 25.0 111.39 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 pt -135.42 166.81 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 104.924 -2.25 . . . . 50.0 104.924 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -86.1 161.7 18.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 p -58.51 -38.47 77.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.403 0.621 . . . . 25.0 110.005 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.12 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.993 0.425 . . . . 25.0 111.616 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.91 -7.81 59.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.269 0.84 . . . . 50.0 113.269 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.79 -41.69 70.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.503 0.668 . . . . 25.0 109.93 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.34 -37.87 93.17 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.79 -0.719 . . . . 50.0 112.266 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.424 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.16 -0.612 . . . . 25.0 111.84 -178.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.66 -47.63 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.58 -0.896 . . . . 50.0 108.58 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.58 -43.0 99.67 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 25.0 110.363 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -56.12 -36.16 67.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.72 0.295 . . . . 25.0 111.022 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -71.54 -22.11 61.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.56 0.49 56.29 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.44 -1.24 88.47 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 111.521 -0.631 . . . . 25.0 111.521 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.12 123.64 30.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.43 92.26 47.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 107.838 -1.171 . . . . 50.0 107.838 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.76 164.67 33.14 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 117.318 -1.321 . . . . 50.0 109.801 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.08 158.92 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.07 -33.22 72.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.77 76.96 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.277 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.64 -39.64 92.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.931 0.395 . . . . 25.0 110.471 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.41 -43.12 95.4 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.02 -49.35 76.4 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -58.42 -43.43 88.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.993 0.425 . . . . 25.0 111.697 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.1 -34.37 76.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.035 -0.416 . . . . 50.0 111.604 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.36 -43.2 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.695 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.31 -38.95 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -57.56 -30.41 65.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.93 -36.98 6.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.208 0.528 . . . . 25.0 111.107 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -25.73 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.138 -0.351 . . . . 50.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.28 79.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.639 0.257 . . . . 25.0 111.336 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.04 -19.23 51.92 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.34 7.23 76.74 Favored Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.88 1.112 . . . . 25.0 115.88 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.66 -28.22 64.63 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.269 1.035 . . . . 25.0 111.955 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.28 -3.81 3.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 116.969 1.548 . . . . 25.0 116.969 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.1 p -129.53 159.52 36.08 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.819 0.809 . . . . 25.0 110.628 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -133.04 126.25 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.042 -1.836 . . . . 25.0 106.042 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -82.61 173.57 11.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.01 0.909 . . . . 50.0 109.719 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.25 -46.43 61.27 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -66.16 -24.72 51.28 Favored 'Trans proline' 0 C--N 1.355 0.883 1 C-N-CA 112.183 -4.745 . . . . 25.0 113.47 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -69.88 -36.23 75.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.893 -0.504 . . . . 50.0 110.331 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -55.93 -38.96 70.98 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.341 0.591 . . . . 25.0 109.765 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -77.76 -36.1 50.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.624 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 m -64.27 -34.91 79.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.425 0.29 . . . . 25.0 111.307 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.8 mtt -58.3 -28.4 64.98 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.951 -0.468 . . . . 25.0 112.059 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.1 mtt -69.3 -28.55 66.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.12 -0.362 . . . . 50.0 111.115 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.1 63.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.632 -0.258 . . . . 25.0 111.621 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -59.16 -47.23 86.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.499 0.666 . . . . 25.0 110.872 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.1 0.76 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.0 ttt -85.99 -40.43 15.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.197 -0.315 . . . . 50.0 111.111 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -167.49 78.22 0.17 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.045 -0.354 . . . . 25.0 110.045 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.25 4.72 49.81 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.038 1.495 . . . . 25.0 115.038 -175.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p -94.82 125.29 39.38 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.186 -2.154 . . . . 25.0 105.186 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 81' ' ' SER . 4.7 p-10 -95.37 -66.69 0.89 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 119.858 3.281 . . . . 25.0 119.858 -175.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.419 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 19.1 t -103.57 -72.88 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 121.438 3.866 . . . . 25.0 121.438 169.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -100.25 -70.91 0.72 Allowed 'General case' 0 N--CA 1.478 0.952 1 N-CA-C 123.752 4.723 . . . . 25.0 123.752 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.99 -36.99 72.69 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 113.515 -1.675 . . . . 25.0 114.797 -162.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.1 -20.21 65.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.455 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.45 -45.76 77.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -69.72 -34.77 74.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -61.04 -33.45 73.31 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.903 0.382 . . . . 25.0 111.278 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.31 70.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.804 0.335 . . . . 25.0 111.572 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.04 -30.68 19.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.326 0.584 . . . . 25.0 109.855 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -63.57 -19.66 65.0 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.37 0.668 . . . . 25.0 112.478 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.4 -18.66 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 121.897 -0.502 . . . . 25.0 110.92 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -97.26 -10.9 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.831 -0.543 . . . . 25.0 112.372 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -86.55 89.37 7.89 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -69.99 -25.63 63.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.16 -6.9 14.52 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 -175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.22 30.08 38.8 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.32 -22.94 60.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 0.72 74.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -138.93 155.19 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.414 -0.462 . . . . 25.0 111.201 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -139.12 169.38 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -71.25 147.56 48.07 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.56 -26.0 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.82 84.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.267 0.556 . . . . 25.0 109.706 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.3 -36.92 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.21 -43.29 96.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -62.94 -38.41 90.93 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.365 -0.21 . . . . 25.0 110.44 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.68 -45.61 93.26 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.634 -0.426 . . . . 25.0 110.746 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.44 -40.57 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.0 mtt -57.85 -48.36 80.03 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.525 -0.47 . . . . 50.0 111.208 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -67.42 -38.59 84.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.889 0.376 . . . . 25.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.91 -43.32 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.439 0.638 . . . . 25.0 109.422 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -90.43 31.77 1.0 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.76 -0.655 . . . . 50.0 111.882 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.02 122.54 2.51 Favored Glycine 0 CA--C 1.517 0.187 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.52 175.35 5.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.251 0.548 . . . . 25.0 110.914 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -136.09 173.52 11.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 104.975 -2.232 . . . . 25.0 104.975 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -58.77 3.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.458 0.572 . . . . 25.0 110.091 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.5 p -118.41 161.64 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.73 -23.08 66.67 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.7 -35.49 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.315 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -69.49 -23.02 63.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.068 0.461 . . . . 25.0 110.884 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.16 -42.81 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.96 -38.25 85.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.147 -0.933 . . . . 50.0 111.72 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.31 -43.85 33.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.135 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -70.48 -39.78 74.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.58 0.705 . . . . 50.0 111.225 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.42 -36.98 74.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.779 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 124.028 0.931 . . . . 25.0 113.227 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -15.37 59.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 -177.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.83 148.11 24.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -77.85 82.41 4.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 mm -76.88 116.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.75 168.18 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.356 -0.609 . . . . 50.0 109.356 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.03 58.17 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 115.34 0.896 . . . . 25.0 115.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 25.0 110.649 177.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.75 23.3 76.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.152 -0.546 . . . . 25.0 113.408 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -117.62 147.37 42.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.61 148.04 23.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.019 0.438 . . . . 25.0 111.797 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -78.14 100.13 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -68.17 -33.37 74.34 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 116.458 2.021 . . . . 50.0 116.458 -170.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.3 -42.86 99.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.664 1.12 . . . . 25.0 112.708 -174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -67.17 -35.44 79.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.81 -38.37 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.977 0.418 . . . . 25.0 110.984 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.44 -43.08 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -61.17 -44.69 96.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.9 ttm -61.06 -41.5 96.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.27 0.841 . . . . 50.0 113.27 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.4 ptp -79.03 -26.52 43.19 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.075 -0.65 . . . . 25.0 110.979 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m 57.7 38.04 27.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.548 1.166 . . . . 25.0 108.724 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -152.7 176.08 12.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.0 -1.455 . . . . 25.0 109.485 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.475 0.811 0 O-C-N 124.968 1.418 . . . . 25.0 109.521 -178.886 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--O 1.222 -0.365 0 CA-C-O 121.194 0.521 . . . . 25.0 110.616 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.73 -35.7 67.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.9 -32.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.46 84.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.55 -38.95 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.983 0.356 . . . . 25.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -60.11 -36.54 77.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.855 -0.528 . . . . 25.0 109.867 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -73.74 -44.0 57.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.657 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.48 -42.2 92.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.196 0.453 . . . . 25.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.35 80.22 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 122.249 -0.282 . . . . 25.0 111.094 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -72.68 -46.36 54.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.337 0.589 . . . . 25.0 109.867 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 t -64.42 -21.96 66.81 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.226 -0.443 . . . . 25.0 112.131 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.92 -23.5 65.3 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.46 0.304 . . . . 25.0 111.622 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.51 -2.07 11.57 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -78.22 76.81 4.73 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.292 1.044 . . . . 25.0 108.46 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -67.28 -37.89 84.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.755 -1.112 . . . . 25.0 113.696 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.46 -25.23 39.01 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.06 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.64 15.72 70.14 Favored Glycine 0 CA--C 1.516 0.139 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.656 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -93.89 2.14 56.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.331 0.586 . . . . 25.0 110.067 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.8 28.14 43.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.494 -0.86 . . . . 25.0 111.749 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -130.0 158.93 38.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.594 0.591 . . . . 25.0 112.594 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.6 pt -135.27 169.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 104.797 -2.297 . . . . 25.0 104.797 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 p -85.17 160.59 19.88 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -57.34 -35.59 70.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.786 0.327 . . . . 25.0 111.797 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.98 -22.55 45.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -12.26 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.273 -0.267 . . . . 25.0 110.953 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.75 -41.44 73.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.158 0.504 . . . . 25.0 110.981 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -36.87 92.75 Favored Glycine 0 C--O 1.225 -0.433 0 C-N-CA 120.751 -0.738 . . . . 25.0 111.401 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -37.04 76.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.189 -0.595 . . . . 25.0 111.8 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.86 -45.82 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 ttm -63.6 -39.77 95.23 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.249 0.547 . . . . 25.0 110.54 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -63.76 -32.09 73.48 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.428 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -69.3 -22.89 63.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 110.21 -0.293 . . . . 25.0 110.21 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -89.35 0.65 56.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 -5.08 67.62 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 116.691 1.436 . . . . 25.0 116.691 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -107.3 137.79 44.71 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.927 1.363 . . . . 25.0 110.146 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.83 105.14 55.98 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-O 121.214 0.53 . . . . 25.0 110.759 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.07 160.35 36.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 CA-C-O 120.99 0.329 . . . . 25.0 112.734 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -75.79 147.38 39.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.69 -30.59 71.61 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.07 -0.394 . . . . 25.0 110.897 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.07 82.23 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -70.33 -37.92 74.77 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.3 -38.42 77.01 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.641 -0.254 . . . . 25.0 111.026 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -59.43 -44.91 92.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.62 -0.264 . . . . 25.0 110.515 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.13 -32.48 63.18 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.677 0.275 . . . . 25.0 111.665 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 mtt -59.23 -35.2 73.23 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.252 0.549 . . . . 25.0 110.782 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.87 -38.09 74.79 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.882 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -63.59 -38.04 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.462 0.649 . . . . 25.0 111.09 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.04 -10.04 55.58 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.84 -42.87 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.164 0.507 . . . . 25.0 111.896 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -134.34 66.9 1.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.129 0.966 . . . . 25.0 110.827 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.92 63.65 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.246 -0.888 . . . . 25.0 113.18 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -88.22 -18.54 28.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.566 0.698 . . . . 25.0 110.904 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.12 32.35 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 114.95 0.74 . . . . 25.0 114.95 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -64.79 -27.82 69.15 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 117.41 0.605 . . . . 25.0 110.536 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.97 52.22 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.3 p -129.82 158.74 38.63 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.862 1.831 . . . . 25.0 113.784 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.5 mt -138.01 128.85 37.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.416 -2.068 . . . . 25.0 105.416 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.5 169.3 12.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.317 1.056 . . . . 25.0 110.901 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.61 -45.69 76.47 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -65.4 -25.69 56.06 Favored 'Trans proline' 0 C--N 1.358 1.054 1 C-N-CA 112.786 -4.343 . . . . 25.0 113.757 177.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.94 -43.0 65.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -55.79 -44.98 78.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 25.0 110.128 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.04 -36.7 77.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.865 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -64.41 -37.62 88.14 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.01 -0.431 . . . . 25.0 109.916 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.5 ttm -60.16 -46.18 90.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 25.0 109.873 178.131 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.12 -43.91 95.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.071 0.463 . . . . 25.0 110.381 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.73 -41.05 84.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -63.43 -31.89 73.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.88 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.07 -47.8 77.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.789 0.722 . . . . 25.0 112.026 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.8 85.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.048 0.451 . . . . 25.0 111.113 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.44 -23.44 60.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -57.24 -29.52 63.85 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.87 -11.4 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -94.57 -25.44 16.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -85.38 89.46 7.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.069 -1.086 . . . . 25.0 108.069 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -74.58 -24.35 58.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -105.69 -8.98 17.56 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.0 31.72 61.57 Favored Glycine 0 C--N 1.331 0.273 0 N-CA-C 109.186 -1.565 . . . . 25.0 109.186 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -91.01 -14.94 30.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.87 -25.48 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.545 -0.722 . . . . 25.0 112.836 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -116.61 139.31 50.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.46 161.66 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 t -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.555 -0.715 . . . . 25.0 109.134 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.88 66.27 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.463 0.649 . . . . 25.0 110.541 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.03 71.69 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.045 0.45 . . . . 25.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -82.08 -37.4 26.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.71 -41.3 97.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -59.26 -35.26 73.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.446 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -67.13 -43.27 82.83 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.54 -47.6 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.93 68.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.093 0.473 . . . . 25.0 112.142 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.52 -36.94 37.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 25.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -73.17 -35.3 66.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.297 0.57 . . . . 25.0 112.352 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.67 -34.56 77.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.705 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.67 173.85 36.65 Favored Glycine 0 C--O 1.218 -0.887 0 N-CA-C 111.458 -0.657 . . . . 25.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.52 33.85 8.56 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.248 1.023 . . . . 25.0 112.396 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 119.59 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.697 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.09 175.19 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 25.0 109.724 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.0 p -66.53 160.93 24.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.57 -33.7 71.77 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -68.03 -36.41 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.818 0.342 . . . . 25.0 111.352 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.29 -34.18 70.41 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.69 0.757 . . . . 25.0 110.732 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.78 -28.69 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 121.823 -0.548 . . . . 25.0 109.791 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.3 -33.93 71.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.968 0.413 . . . . 25.0 111.563 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -53.55 -40.87 65.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.036 0.446 . . . . 25.0 111.383 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.5 mtm -82.56 -32.83 28.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.666 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.37 -41.39 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -52.89 -42.88 65.72 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -31.84 55.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.659 0.742 . . . . 25.0 112.317 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.97 -18.86 35.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.967 1.84 . . . . 25.0 115.967 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.66 135.14 43.73 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.455 1.279 . . . . 25.0 114.455 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.8 mm -113.73 117.5 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.68 -24.79 67.09 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -74.91 -29.41 60.95 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.053 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.87 -25.52 11.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.37 19.69 79.78 Favored Glycine 0 C--O 1.241 0.543 0 N-CA-C 109.745 -1.342 . . . . 25.0 109.745 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -122.23 162.0 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.575 -0.813 . . . . 25.0 109.969 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.06 144.5 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.72 147.02 51.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -31.87 8.4 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.802 -0.359 . . . . 25.0 111.469 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.37 -49.75 57.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -73.84 -26.33 60.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.983 -1.118 . . . . 25.0 107.983 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.0 -41.47 87.74 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.95 -43.0 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.063 0.458 . . . . 25.0 110.167 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.22 -34.31 74.67 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 120.292 -0.563 . . . . 25.0 110.581 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.4 ttp -63.66 -25.07 68.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.12 0.486 . . . . 25.0 111.632 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.7 mtt -73.69 -17.41 61.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.579 -0.701 . . . . 25.0 112.151 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -176.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 121.326 0.584 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.19 -33.32 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.095 -0.378 . . . . 25.0 110.12 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.74 -33.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.84 81.88 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.017 -0.427 . . . . 25.0 110.372 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.59 -39.85 95.44 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.735 -0.603 . . . . 25.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -65.11 -37.73 88.39 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.22 -41.32 90.28 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.737 -0.211 . . . . 25.0 111.038 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.09 -41.91 97.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.973 0.416 . . . . 25.0 109.909 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.769 0.319 . . . . 25.0 110.635 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -69.87 -47.92 60.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 109.942 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 t -66.3 -20.2 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -24.07 66.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.798 0.332 . . . . 25.0 111.326 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.5 -5.37 12.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.86 77.73 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.25 -8.94 26.35 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.383 -0.826 . . . . 25.0 112.431 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -82.63 -28.04 31.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.8 -1.555 . . . . 25.0 106.8 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.8 2.66 69.24 Favored Glycine 0 C--N 1.328 0.095 0 CA-C-N 115.321 -0.854 . . . . 25.0 113.572 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.24 -5.96 58.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.89 35.28 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.5 p -132.33 165.14 24.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.08 164.63 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 104.208 -2.516 . . . . 25.0 104.208 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -89.22 161.2 16.56 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.3 p -59.96 -28.17 67.42 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.144 0.973 . . . . 25.0 109.922 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.61 -23.77 62.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.145 -0.934 . . . . 25.0 111.377 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.04 -3.78 40.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.518 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.31 -41.95 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.681 0.753 . . . . 25.0 109.131 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -30.09 76.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.612 -0.804 . . . . 25.0 112.489 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -33.07 62.37 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.237 -0.566 . . . . 25.0 111.716 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.75 -45.46 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -39.46 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.289 0.566 . . . . 25.0 110.289 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -64.59 -33.71 76.56 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.004 -0.435 . . . . 25.0 111.083 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -68.68 -30.45 69.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.75 4.73 13.02 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.872 0.469 . . . . 25.0 110.561 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.36 -4.39 62.17 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -136.49 131.25 33.72 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.899 1.35 . . . . 25.0 111.967 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -83.07 133.77 47.54 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 106.896 -1.52 . . . . 25.0 106.896 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.49 168.23 21.67 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 118.041 -0.839 . . . . 25.0 111.465 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.56 146.9 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -67.21 -29.02 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -176.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.83 97.03 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.954 0.406 . . . . 25.0 110.769 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.57 -41.34 93.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.02 -40.67 96.48 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.31 -48.25 82.32 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.522 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -68.02 -35.12 77.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.557 -0.457 . . . . 25.0 111.254 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.17 -29.47 68.35 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 120.846 0.355 . . . . 25.0 111.541 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -79.63 -36.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.12 -39.69 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.12 -0.362 . . . . 25.0 111.711 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -70.71 -21.55 62.55 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.294 -0.879 . . . . 25.0 112.555 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.13 -38.46 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.84 -12.49 61.59 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.309 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.95 79.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.16 -27.54 19.51 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.343 -1.354 . . . . 25.0 107.343 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.31 66.29 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 117.331 1.692 . . . . 25.0 117.331 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.87 -29.87 69.89 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.783 1.292 . . . . 25.0 113.744 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.5 -4.1 21.94 Favored Glycine 0 C--O 1.246 0.851 0 C-N-CA 121.215 -0.517 . . . . 25.0 113.989 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 167.7 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.21 -2.144 . . . . 25.0 105.21 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.64 112.88 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.917 -1.882 . . . . 25.0 105.917 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.71 172.0 13.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.34 -45.75 78.23 Favored Pre-proline 0 C--N 1.315 -0.918 0 C-N-CA 119.754 -0.778 . . . . 25.0 112.901 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -61.77 -31.89 85.87 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 114.323 -3.318 . . . . 25.0 114.464 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.671 -0.643 . . . . 25.0 109.476 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -61.39 -41.41 97.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.11 -36.2 81.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.201 -0.312 . . . . 25.0 110.517 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -64.29 -38.27 90.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.9 ttm -65.2 -25.15 67.58 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.063 -0.398 . . . . 25.0 111.019 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 120.948 -1.095 . . . . 25.0 108.978 176.174 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.85 -34.61 74.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 119.005 0.821 . . . . 25.0 111.828 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.66 -41.22 89.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.901 0.858 . . . . 25.0 108.938 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -83.83 -31.79 25.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -89.46 -37.54 14.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.37 83.58 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -174.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.36 -23.93 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.744 -0.597 . . . . 25.0 112.142 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -68.99 -27.99 66.2 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.33 -17.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.591 -0.443 . . . . 25.0 109.921 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -95.54 -18.23 20.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.062 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -83.48 83.15 7.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 173.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.97 -42.73 49.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -119.52 9.45 11.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -172.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.28 38.26 26.01 Favored Glycine 0 N--CA 1.464 0.528 0 C-N-CA 120.578 -0.82 . . . . 25.0 112.457 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -76.43 -23.88 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.4 -3.58 81.99 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 111.665 -0.574 . . . . 25.0 111.665 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -138.9 159.66 41.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 pt -135.43 161.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 t -67.22 143.26 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.04 -22.83 67.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.793 0.33 . . . . 25.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.42 91.06 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.01 -28.49 57.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.344 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.02 -45.26 94.39 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -62.97 -36.69 84.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.457 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.67 -46.91 87.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.62 -46.64 95.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.895 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.5 mtt -62.33 -39.31 92.63 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 t -75.81 -17.95 59.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.664 -0.648 . . . . 25.0 110.922 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -81.64 0.46 38.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -93.55 5.98 49.77 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 175.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.34 160.18 34.3 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.84 -0.618 . . . . 25.0 114.638 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.18 150.35 47.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -115.87 163.71 15.47 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -71.5 -42.34 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 25.0 110.924 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -121.07 156.64 31.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.005 -0.543 . . . . 25.0 109.74 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -65.08 -30.15 71.08 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.15 -32.76 66.71 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.34 -24.68 67.73 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.926 0.393 . . . . 25.0 111.566 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.13 -43.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.11 -38.27 82.5 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.855 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -65.39 -30.62 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 77.8 mtm -69.93 -31.05 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -78.73 -39.37 22.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.41 -25.52 67.25 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.68 -27.38 63.97 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.649 -0.421 . . . . 25.0 111.832 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.43 145.02 26.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.218 0.532 . . . . 25.0 110.811 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.83 138.78 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.7 tt -81.48 107.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.141 0.972 . . . . 25.0 111.643 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.03 140.74 58.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.261 -0.881 . . . . 25.0 113.177 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -16.75 79.14 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.637 -0.711 . . . . 25.0 113.341 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -77.25 -12.18 59.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 25.0 111.469 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 4.97 89.46 Favored Glycine 0 C--O 1.237 0.298 0 C-N-CA 120.98 -0.629 . . . . 25.0 112.359 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -121.09 154.6 35.92 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.2 148.94 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.279 0.362 . . . . 25.0 110.091 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -76.35 104.68 6.98 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 122.296 1.046 . . . . 25.0 110.82 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.37 -28.78 64.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -171.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.52 -40.96 96.6 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.571 -0.852 . . . . 25.0 111.983 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -74.24 -33.04 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -37.55 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.563 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.32 -42.07 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.56 -40.0 92.34 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.983 -0.287 . . . . 25.0 110.261 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.4 ttp -63.91 -39.8 95.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.124 0.488 . . . . 25.0 110.699 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 tpp -66.4 -16.62 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.802 0.334 . . . . 25.0 111.239 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.08 -34.88 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.415 0.626 . . . . 25.0 109.836 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.39 -35.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.133 -0.355 . . . . 25.0 110.723 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.02 -42.5 99.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.64 -35.72 79.43 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.23 -0.294 . . . . 25.0 110.565 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 3.4 tmtt? -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.46 -38.38 81.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.463 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.11 86.13 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.982 0.42 . . . . 25.0 110.371 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.33 -45.39 73.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 14.8 t -65.98 -21.62 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -25.86 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 25.0 110.704 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.33 -14.69 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.436 . . . . 25.0 112.044 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -81.56 77.25 8.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -69.35 -16.98 63.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.073 -1.422 . . . . 25.0 112.556 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -97.11 -27.87 14.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.331 0.586 . . . . 25.0 111.2 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.14 64.06 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.36 -0.836 . . . . 25.0 113.574 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.38 0.36 57.44 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.373 0.606 . . . . 25.0 111.423 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 25.52 52.61 Favored Glycine 0 C--O 1.234 0.14 0 CA-C-O 119.732 -0.482 . . . . 25.0 113.563 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.0 p -133.91 158.68 42.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.345 0.573 . . . . 25.0 112.386 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 pt -138.91 167.04 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 p -86.59 160.81 18.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -60.3 -31.1 69.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.593 0.711 . . . . 25.0 110.724 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.189 -0.459 . . . . 25.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -11.48 59.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.59 -40.38 75.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.58 95.61 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.728 -0.749 . . . . 25.0 111.441 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.18 83.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.16 -0.612 . . . . 25.0 112.212 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.59 -47.03 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -63.01 -41.39 99.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 25.0 109.907 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.2 -23.88 67.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.948 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -66.0 -23.06 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.342 -0.224 . . . . 25.0 111.017 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.53 13.31 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 25.0 109.804 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 -4.16 86.11 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 114.988 0.755 . . . . 25.0 114.988 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.91 123.04 30.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.28 92.1 16.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 121.272 0.558 . . . . 25.0 109.737 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.35 169.36 20.2 Favored 'Trans proline' 0 C--O 1.237 0.427 0 N-CA-C 109.64 -0.946 . . . . 25.0 109.64 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -67.43 156.07 37.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.7 -25.33 67.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.933 -0.48 . . . . 25.0 110.37 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.89 -47.34 72.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.81 -39.28 93.33 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.67 -44.22 96.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.573 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.53 -42.88 77.84 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 121.111 -0.236 . . . . 25.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 25.0 111.352 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -66.4 -30.98 71.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.024 -0.422 . . . . 25.0 111.281 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.73 -37.02 54.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.17 -34.49 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.724 -0.61 . . . . 25.0 109.829 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.51 -6.02 33.1 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -122.69 -43.06 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.937 0.399 . . . . 25.0 111.681 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.27 55.85 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.465 0.65 . . . . 25.0 112.203 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -30.96 72.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.125 0.488 . . . . 25.0 109.81 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -91.92 -15.72 27.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.806 0.812 . . . . 25.0 110.917 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.53 37.08 41.76 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.207 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -64.18 -29.08 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.06 2.72 90.6 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.571 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -134.0 153.84 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -133.95 126.66 50.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.72 171.55 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.072 0.939 . . . . 25.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -66.91 -43.94 49.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.9 -26.24 59.39 Favored 'Trans proline' 0 C--N 1.357 1.021 1 C-N-CA 112.441 -4.573 . . . . 25.0 113.443 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -71.4 -42.02 68.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.05 -43.78 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 25.0 109.637 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.2 -39.65 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.69 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -64.29 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.748 -0.205 . . . . 25.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.2 mtp -59.74 -43.13 94.38 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.969 -0.457 . . . . 25.0 109.861 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 C--N 1.325 -0.497 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.396 179.23 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 119.849 -0.119 . . . . 25.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.82 -37.54 82.36 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.154 0.502 . . . . 25.0 109.783 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.59 -39.88 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.957 -0.756 . . . . 25.0 108.957 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.77 -34.36 78.0 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.114 -0.366 . . . . 25.0 110.754 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.05 -35.25 73.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.655 0.264 . . . . 25.0 111.208 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.36 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.962 0.411 . . . . 25.0 111.221 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -86.55 -25.12 25.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.755 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -65.71 -15.9 63.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.5 0.555 . . . . 25.0 112.5 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -65.3 -20.48 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -108.17 3.36 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 25.0 111.762 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -78.82 146.18 33.86 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -85.38 -49.98 7.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -133.66 9.01 3.91 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.75 25.78 10.39 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.579 -1.008 . . . . 25.0 110.579 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -78.79 -8.41 58.74 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -0.72 83.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 117.406 1.722 . . . . 25.0 117.406 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.04 146.07 40.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.984 0.892 . . . . 25.0 112.003 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.99 158.17 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.9 t -59.42 140.84 55.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.36 -28.29 69.66 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.442 0.639 . . . . 25.0 110.266 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.22 77.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -33.45 73.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.618 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.63 -38.66 78.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.69 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -61.48 -33.32 73.57 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 25.0 110.571 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -68.42 -39.66 81.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.7 t -67.18 -44.32 87.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -23.67 67.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.7 t -94.92 0.72 54.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.083 0.401 . . . . 25.0 112.083 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -62.43 -14.75 44.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.6 mt -84.09 -14.78 49.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.03 0.443 . . . . 25.0 110.688 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.48 169.24 11.84 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 108.158 -1.977 . . . . 25.0 108.158 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.2 128.14 34.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -75.08 140.19 43.31 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.6 -43.82 88.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.53 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.0 p -119.01 140.65 49.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.24 -30.9 70.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 174.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -54.24 -35.77 62.84 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.838 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.2 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 25.0 110.557 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.35 -41.67 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.56 -32.9 74.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 25.0 112.643 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -33.77 73.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.064 0.393 . . . . 25.0 110.736 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 69.8 mtm -75.18 -29.53 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.477 -0.764 . . . . 25.0 110.982 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.52 -29.09 18.22 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -58.38 -32.43 68.59 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.295 0.638 . . . . 25.0 112.29 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.52 -42.24 30.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.853 0.359 . . . . 25.0 110.124 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.27 62.98 5.58 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.09 8.03 2.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.7 96.69 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 122.152 0.977 . . . . 25.0 113.303 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.52 5.07 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -36.27 -54.28 1.27 Allowed Glycine 0 N--CA 1.466 0.691 0 N-CA-C 117.997 1.959 . . . . 25.0 117.997 -174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -126.0 17.35 7.89 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.26 10.96 85.8 Favored Glycine 0 C--O 1.244 0.733 0 CA-C-N 115.101 -0.954 . . . . 25.0 114.383 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.09 153.83 33.09 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 117.486 0.643 . . . . 25.0 112.693 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.23 148.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -78.57 110.23 13.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.042 0.925 . . . . 25.0 111.514 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.12 -20.68 64.05 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.422 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.941 -0.475 . . . . 25.0 111.097 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.24 -35.39 76.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.18 -35.08 77.47 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.667 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.56 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -64.32 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 25.0 111.103 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.34 -39.12 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.504 . . . . 25.0 111.932 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.7 mtt -82.6 -6.99 59.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 175.723 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -73.41 -34.24 65.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.82 -36.31 76.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.52 86.99 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.317 -0.239 . . . . 25.0 111.524 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.78 -39.92 84.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.579 0.704 . . . . 25.0 110.933 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -65.56 -36.73 84.65 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.486 -0.759 . . . . 25.0 109.532 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -75.59 -36.98 60.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.11 -41.05 86.86 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.797 -0.564 . . . . 25.0 109.927 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.08 85.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 25.0 110.361 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -65.68 -50.34 65.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 25.0 109.986 177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -66.13 -19.73 65.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.949 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.43 -35.05 76.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.583 0.706 . . . . 25.0 111.297 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -102.79 -9.6 19.83 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.671 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -82.01 85.77 6.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -68.73 -30.24 68.83 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 114.504 1.298 . . . . 25.0 114.504 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.3 -25.02 17.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.563 0.697 . . . . 25.0 112.272 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.72 14.83 59.08 Favored Glycine 0 CA--C 1.51 -0.275 0 CA-C-N 115.354 -0.839 . . . . 25.0 113.028 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -73.71 -11.31 60.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.188 0.518 . . . . 25.0 112.373 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.72 21.99 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -135.46 157.21 47.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.661 0.743 . . . . 25.0 112.538 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -134.21 173.19 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 103.354 -2.832 . . . . 25.0 103.354 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 p -99.21 161.5 13.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.786 -1.191 . . . . 25.0 107.786 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -54.84 -44.02 73.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.079 0.466 . . . . 25.0 111.944 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -65.54 -28.87 69.47 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.12 -16.38 53.19 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.728 0.299 . . . . 25.0 111.133 -175.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.57 -37.46 78.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.445 0.64 . . . . 25.0 109.974 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.91 -27.78 70.84 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.544 -0.836 . . . . 25.0 112.064 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -35.75 31.64 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.498 -1.001 . . . . 25.0 111.635 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.4 -46.17 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.21 -38.56 83.7 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 120.973 0.416 . . . . 25.0 111.043 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.89 -35.09 77.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.798 -0.564 . . . . 25.0 111.051 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -67.5 -27.27 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.359 -0.213 . . . . 25.0 110.958 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.33 -0.11 9.35 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.47 72.54 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 117.995 1.958 . . . . 25.0 117.995 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -142.75 138.77 30.72 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 118.609 1.204 . . . . 25.0 111.002 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -85.39 128.43 59.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.45 173.94 13.07 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 118.166 -0.756 . . . . 25.0 111.602 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.91 138.38 42.34 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.82 -25.58 64.75 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -64.4 0.87 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.925 0.393 . . . . 25.0 111.808 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.2 -28.6 69.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.379 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -36.7 84.9 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.98 -42.2 73.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.1 -33.73 76.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.502 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.7 mtt -59.57 -29.34 67.87 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -75.76 -32.36 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 122.184 -0.322 . . . . 25.0 110.874 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.18 -37.29 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 121.147 0.499 . . . . 25.0 111.171 -176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.83 -27.78 66.92 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -98.58 -29.71 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.497 0.665 . . . . 25.0 110.294 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.2 -21.54 59.63 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.87 -0.519 . . . . 25.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.13 69.85 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.49 -27.11 61.21 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 122.351 1.072 . . . . 25.0 110.48 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.56 88.92 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.918 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -70.6 -26.32 63.45 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.01 12.11 83.55 Favored Glycine 0 CA--C 1.52 0.377 0 O-C-N 121.74 -0.6 . . . . 25.0 112.136 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -133.99 168.85 18.03 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -128.18 113.69 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.3 167.91 19.01 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.812 0.815 . . . . 25.0 109.608 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -60.29 -45.14 97.6 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 114.776 1.399 . . . . 25.0 114.776 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.79 -33.29 76.68 Favored 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 112.888 -4.275 . . . . 25.0 114.835 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -69.96 -34.45 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.718 0.77 . . . . 25.0 109.778 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.84 -38.74 92.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.692 -0.685 . . . . 25.0 109.357 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.52 -32.76 71.79 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.841 -0.537 . . . . 25.0 110.875 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.0 m -61.05 -34.72 75.32 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.7 mtt -60.97 -26.5 67.6 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.44 -0.787 . . . . 25.0 111.215 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.747 -179.152 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 -47.44 86.31 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 118.772 0.715 . . . . 25.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.7 -39.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.227 1.013 . . . . 25.0 109.187 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -63.85 -26.64 68.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.164 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.52 -39.15 67.34 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.122 0.415 . . . . 25.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.16 -27.86 68.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.14 0.495 . . . . 25.0 112.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -91.04 -19.65 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.672 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -62.66 -33.66 75.49 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.216 0.531 . . . . 25.0 111.527 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.47 -16.68 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 116.144 -0.48 . . . . 25.0 112.116 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -98.24 -10.58 23.79 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.722 0.296 . . . . 25.0 110.933 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.1 115.73 20.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.39 -42.15 79.48 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.32 4.08 5.17 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.14 36.24 11.33 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -87.91 -18.59 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.1 -0.99 87.73 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 112.161 -0.376 . . . . 25.0 112.161 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -120.06 141.26 49.92 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.742 0.817 . . . . 25.0 109.972 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -138.87 165.29 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.2 t -71.5 152.45 43.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.17 66.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.5 97.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.516 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -71.39 -36.12 71.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.176 0.513 . . . . 25.0 109.764 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.14 -45.94 89.55 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -60.03 -40.56 89.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.674 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -57.42 -52.01 67.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 119.369 -0.348 . . . . 25.0 110.544 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.2 -43.48 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.201 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 29.7 mtt -60.95 -39.18 88.54 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.162 -0.336 . . . . 25.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -67.05 -35.15 79.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.87 -24.33 63.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.819 0.342 . . . . 25.0 111.829 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.5 -14.85 22.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 112.136 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.47 144.4 25.58 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 120.913 -0.661 . . . . 25.0 111.635 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -130.92 -32.04 1.67 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -129.16 176.7 7.7 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -174.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -162.62 0.22 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.146 1.378 . . . . 25.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 t -101.59 152.56 20.66 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.805 0.442 . . . . 25.0 110.687 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.75 -23.35 67.15 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.287 0.565 . . . . 25.0 111.538 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -68.44 -24.45 64.73 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.752 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.64 -35.45 75.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.8 -39.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -66.04 -32.33 73.74 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 112.481 0.548 . . . . 25.0 112.481 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -66.5 -34.71 78.53 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.946 -0.471 . . . . 25.0 110.073 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 75.8 mtm -66.42 -34.76 78.67 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 120.963 -1.086 . . . . 25.0 109.764 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.22 -32.1 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -68.49 -37.87 80.49 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.997 0.519 . . . . 25.0 111.873 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.23 -21.99 61.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.607 0.718 . . . . 25.0 111.483 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.98 138.71 32.98 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.94 134.4 52.9 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 174.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.5 mt -119.47 128.16 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 105.276 -2.12 . . . . 25.0 105.276 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -71.16 161.83 30.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.82 -23.4 61.14 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 114.614 0.605 . . . . 25.0 114.614 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -83.55 6.31 20.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 25.0 111.764 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 31.69 58.8 Favored Glycine 0 C--O 1.24 0.495 0 C-N-CA 121.489 -0.386 . . . . 25.0 112.224 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.15 156.92 30.11 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.77 156.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -94.01 106.62 18.59 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -71.33 -21.05 62.1 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.947 -0.471 . . . . 25.0 111.748 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.53 -37.99 76.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.44 0.638 . . . . 25.0 110.031 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.48 94.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.557 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.07 -43.53 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -40.4 95.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.098 0.475 . . . . 25.0 110.326 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 tpp -57.83 -30.64 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 mtt -70.76 -11.55 61.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -179.375 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.2 -22.12 49.05 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 119.654 -0.818 . . . . 25.0 110.032 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -71.13 -38.48 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.4 87.8 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -60.39 -43.15 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.437 0.637 . . . . 25.0 109.707 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.92 -38.74 89.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -63.81 -40.73 97.34 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.747 -0.595 . . . . 25.0 111.089 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.78 -35.0 79.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 25.0 110.466 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -70.21 -46.55 64.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.653 0.739 . . . . 25.0 109.622 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 t -68.84 -19.65 64.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -25.38 67.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.371 . . . . 25.0 111.201 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -112.96 -8.11 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.732 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.44 80.3 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.814 1.292 . . . . 25.0 107.874 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -71.18 -16.54 62.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.172 -1.376 . . . . 25.0 112.683 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.92 -28.19 13.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 25.0 111.695 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.1 59.89 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-N 115.252 -0.885 . . . . 25.0 114.594 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.25 -12.28 59.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.64 21.47 50.79 Favored Glycine 0 C--O 1.243 0.677 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.13 167.01 21.75 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.073 0.549 . . . . 25.0 109.706 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -135.46 164.52 32.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 104.88 -2.267 . . . . 25.0 104.88 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -79.45 158.38 27.31 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 p -55.92 -35.32 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 25.0 112.183 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.54 -25.56 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.72 -9.95 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.089 0.471 . . . . 25.0 111.957 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.72 -38.74 70.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.412 0.625 . . . . 25.0 110.746 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.2 -26.41 74.15 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.752 -0.737 . . . . 25.0 112.998 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -40.1 19.66 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.256 -0.556 . . . . 25.0 111.211 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.59 -46.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.762 0.315 . . . . 25.0 110.761 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.6 mtt -64.72 -36.8 85.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.587 -0.696 . . . . 25.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -60.9 -35.63 77.17 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 t -68.98 -21.78 64.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -86.39 5.85 32.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.401 0.619 . . . . 25.0 109.852 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.92 66.17 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -145.02 123.17 12.15 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 118.841 1.32 . . . . 25.0 110.872 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -87.82 150.44 48.04 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.17 167.3 26.2 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 117.601 -1.133 . . . . 25.0 109.567 175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -72.35 160.8 31.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.731 -1.951 . . . . 25.0 105.731 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -62.01 -32.62 73.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.17 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.411 0.148 . . . . 25.0 110.896 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.11 -46.09 92.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.117 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.22 -42.65 93.23 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.933 -0.307 . . . . 25.0 111.142 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.85 -43.24 96.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.801 0.334 . . . . 25.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.43 -30.77 71.6 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.249 0.547 . . . . 25.0 111.73 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.0 mt -69.36 -39.52 78.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.69 -33.14 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.335 -0.228 . . . . 25.0 110.855 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -55.44 -38.99 69.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.076 0.398 . . . . 25.0 111.336 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 HG12 ' A' ' 63' ' ' ILE . 91.9 t -93.73 -37.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -65.67 -14.57 61.5 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.679 -0.638 . . . . 25.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.66 96.72 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.699 -0.228 . . . . 25.0 111.157 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.68 -24.27 17.93 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.2 22.18 38.97 Favored Glycine 0 N--CA 1.454 -0.159 0 N-CA-C 115.801 1.08 . . . . 25.0 115.801 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.5 -29.6 69.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.588 1.194 . . . . 25.0 111.697 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.12 26.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 114.827 0.691 . . . . 25.0 114.827 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p -129.09 150.04 50.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.086 0.554 . . . . 25.0 109.951 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 55' ' ' VAL . 76.5 mt -120.17 124.52 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.05 170.97 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.331 1.062 . . . . 25.0 110.154 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -64.53 -45.87 77.04 Favored Pre-proline 0 CA--C 1.545 0.771 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.78 -23.42 48.28 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 112.85 -4.3 . . . . 25.0 114.123 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.93 -39.84 72.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.8 -43.23 80.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.29 -33.18 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.161 -0.337 . . . . 25.0 111.253 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 m -65.94 -38.3 88.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.133 -0.354 . . . . 25.0 110.988 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 mmt . . . . . 0 N--CA 1.468 0.461 0 O-C-N 121.361 -0.837 . . . . 25.0 109.186 175.617 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--O 1.216 -0.676 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.41 -43.0 88.44 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.845 0.748 . . . . 25.0 110.017 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.5 -41.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.741 0.781 . . . . 25.0 108.953 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.79 -44.65 92.72 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.452 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.11 -43.46 95.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.594 0.634 . . . . 25.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.39 -36.44 71.28 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.262 -0.426 . . . . 25.0 112.073 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -86.47 -38.67 17.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.04 -11.22 60.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.11 -18.33 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -107.13 9.26 30.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.931 0.492 . . . . 25.0 111.544 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.17 104.62 3.13 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.452 0.644 . . . . 25.0 110.141 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.36 -49.75 71.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 115.589 1.7 . . . . 25.0 115.589 -172.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -119.55 8.24 11.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.218 0.532 . . . . 25.0 110.584 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.06 20.42 79.69 Favored Glycine 0 C--O 1.236 0.227 0 N-CA-C 109.996 -1.242 . . . . 25.0 109.996 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -109.88 12.57 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.31 8.69 70.98 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 120.834 -0.698 . . . . 25.0 114.434 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -116.91 141.72 47.87 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.473 0.636 . . . . 25.0 111.515 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 pt -126.79 163.43 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -74.35 148.8 40.97 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.82 66.24 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.338 0.59 . . . . 25.0 110.575 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.36 74.14 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.952 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.86 -29.33 63.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.104 0.478 . . . . 25.0 111.613 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.26 -37.43 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.286 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.08 -26.31 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -68.97 -37.94 79.09 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 118.318 -1.353 . . . . 25.0 107.871 178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -59.81 -47.39 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -172.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.54 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -82.4 -13.09 57.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.462 0.541 . . . . 25.0 112.462 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -93.04 -25.86 17.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.776 0.322 . . . . 25.0 111.28 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.93 -2.73 27.22 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.22 160.31 32.46 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 119.859 -1.162 . . . . 25.0 114.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.09 47.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.32 134.49 38.5 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 106.316 -1.735 . . . . 25.0 106.316 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.66 -19.41 13.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 117.387 2.365 . . . . 25.0 117.387 -172.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -122.56 141.94 51.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.623 0.647 . . . . 25.0 110.602 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -64.46 -36.81 85.4 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.605 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.17 -27.43 68.4 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.98 -33.1 59.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.674 0.75 . . . . 25.0 109.184 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.14 -35.3 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.407 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.23 -42.42 81.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.678 -0.692 . . . . 25.0 112.29 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.34 -28.69 69.47 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.6 ttm -73.08 -41.99 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.699 0.761 . . . . 25.0 109.763 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.55 -42.1 94.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.74 -26.61 35.2 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.16 -26.16 61.09 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.92 15.35 2.67 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.788 2.514 . . . . 25.0 117.788 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.3 142.44 27.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.771 1.169 . . . . 25.0 112.839 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.5 mt -130.9 115.62 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.43 -1.29 45.16 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -48.71 -42.43 28.28 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.09 9.63 7.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.759 0.79 . . . . 25.0 109.5 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.66 15.93 73.74 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.219 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -117.92 152.23 35.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.613 0.365 . . . . 25.0 110.27 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.9 143.84 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -87.21 114.64 23.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -70.39 -17.32 63.03 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.193 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.29 -44.57 88.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.16 -23.94 47.47 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.592 -0.693 . . . . 25.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -34.01 69.21 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.63 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -59.43 -40.09 85.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.7 ttm -64.97 -43.98 90.87 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.057 0.456 . . . . 25.0 110.882 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 61.2 mtt -72.02 -12.5 61.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.238 0.484 0 CA-C-O 121.117 0.484 . . . . 25.0 110.253 179.442 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.843 0.354 . . . . 25.0 110.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -69.76 -34.61 74.02 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.874 -0.516 . . . . 25.0 109.864 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -65.57 -38.19 81.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.8 96.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.093 -0.336 . . . . 25.0 110.093 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.59 -40.85 98.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.957 0.408 . . . . 25.0 110.294 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.73 -34.13 76.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.78 -35.72 62.54 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.551 -0.46 . . . . 25.0 112.148 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.54 75.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.923 0.392 . . . . 25.0 111.36 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.72 -45.76 42.05 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.402 0.62 . . . . 25.0 110.148 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 11.7 t -68.5 -14.88 63.31 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.173 0.589 . . . . 25.0 112.092 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.08 -25.03 65.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.406 0.622 . . . . 25.0 109.577 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CD2' HG22 ' A' ' 35' ' ' VAL . 97.5 m-85 -111.4 -26.2 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.02 -0.991 . . . . 25.0 113.088 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 43.0 t0 -78.41 85.97 4.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.661 0.743 . . . . 25.0 109.128 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.04 -5.18 34.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.86 -25.69 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.221 0.534 . . . . 25.0 109.9 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.9 21.19 37.03 Favored Glycine 0 N--CA 1.453 -0.186 0 CA-C-N 115.879 -0.6 . . . . 25.0 114.36 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -91.35 -9.88 43.27 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.412 0.606 . . . . 25.0 112.314 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.5 10.5 79.56 Favored Glycine 0 C--O 1.241 0.573 0 C-N-CA 121.241 -0.504 . . . . 25.0 113.63 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -124.27 165.47 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -137.58 165.52 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.22 -2.511 . . . . 25.0 104.22 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.2 p -83.98 160.36 21.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -58.77 -31.44 68.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.77 0.795 . . . . 25.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.58 -37.53 86.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.827 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -73.87 -8.69 57.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.59 -37.58 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 25.0 110.588 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.29 97.83 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 120.535 -0.841 . . . . 25.0 111.826 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -41.62 58.66 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.686 -0.303 . . . . 25.0 111.708 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' CD2' ' A' ' 19' ' ' PHE . 79.7 t -66.98 -44.62 88.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 N-CA-C 110.553 -0.166 . . . . 25.0 110.553 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.65 -35.33 77.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.041 -1.037 . . . . 25.0 109.345 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -67.63 -27.69 67.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.5 p -73.07 -15.87 61.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.794 0.725 . . . . 25.0 111.591 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.21 -7.16 50.24 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.229 0.538 . . . . 25.0 109.963 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.18 -5.02 78.18 Favored Glycine 0 C--O 1.229 -0.181 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.233 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -139.3 123.13 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -94.98 144.94 28.65 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.52 172.22 16.62 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 117.496 -1.203 . . . . 25.0 109.741 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.05 146.63 54.13 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 174.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.32 -25.82 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.51 57.46 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.75 -27.82 65.26 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.34 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.3 -41.03 98.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -71.12 -38.96 72.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -58.29 -44.54 88.54 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.771 0.319 . . . . 25.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtt -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.825 0.345 . . . . 25.0 111.891 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.25 -41.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.84 -35.86 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 110.239 -0.282 . . . . 25.0 110.239 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.94 -33.42 73.15 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 122.327 -0.233 . . . . 25.0 111.103 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -89.29 -31.66 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.059 0.457 . . . . 25.0 111.501 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.93 -10.09 8.66 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.069 -0.394 . . . . 25.0 111.451 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.64 73.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.407 0.283 . . . . 25.0 110.698 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.36 -26.88 24.59 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.96 0.886 . . . . 25.0 109.676 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.74 9.24 87.25 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.2 -0.909 . . . . 25.0 114.94 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.74 -28.26 67.49 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.55 7.43 87.15 Favored Glycine 0 C--O 1.243 0.672 0 C-N-CA 121.522 -0.37 . . . . 25.0 113.464 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.1 p -129.22 162.42 27.88 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.1 mt -132.55 121.29 44.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 102.922 -2.992 . . . . 25.0 102.922 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.03 177.95 5.91 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 105.406 -2.072 . . . . 25.0 105.406 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.83 -43.82 99.52 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 115.246 1.573 . . . . 25.0 115.246 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 -30.28 28.62 Favored 'Trans proline' 0 C--N 1.357 1.001 1 C-N-CA 113.146 -4.102 . . . . 25.0 115.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.42 -36.56 79.26 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.602 1.092 . . . . 25.0 108.77 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.88 -41.09 95.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.05 -35.4 71.92 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 122.259 -0.276 . . . . 25.0 111.674 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.3 m -59.33 -36.59 75.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.449 0.642 . . . . 25.0 109.944 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.82 -12.39 53.87 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 C--O 1.218 -0.6 0 O-C-N 121.419 -0.801 . . . . 25.0 109.448 176.664 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.76 -41.9 91.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -66.31 -39.49 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.13 -45.79 90.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.151 -0.932 . . . . 25.0 111.02 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.71 -44.03 91.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.642 0.656 . . . . 25.0 110.444 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.6 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 25.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -18.76 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -69.86 -15.06 63.02 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.075 -1.016 . . . . 25.0 110.993 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -25.25 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.919 0.39 . . . . 25.0 109.976 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -105.53 6.2 32.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.3 129.69 40.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.94 -44.32 69.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -128.82 -1.89 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.0 6.41 75.61 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.94 7.91 36.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.972 0.386 . . . . 25.0 111.772 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.12 25.0 46.17 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 120.918 -0.658 . . . . 25.0 114.687 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -128.42 143.99 51.07 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 117.235 0.517 . . . . 25.0 110.035 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.8 pt -138.46 163.12 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -79.12 150.58 31.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.94 65.96 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.268 0.556 . . . . 25.0 110.175 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.28 90.49 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.186 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -35.07 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.29 -40.82 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -59.7 -36.72 77.08 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.53 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -65.22 -44.39 88.43 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.691 -0.404 . . . . 25.0 110.678 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.36 -44.59 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -62.0 -41.69 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -74.24 -14.93 60.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.434 -0.791 . . . . 25.0 110.915 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -88.97 -4.49 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.218 -0.301 . . . . 25.0 111.57 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.73 -28.43 68.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.048 0.451 . . . . 25.0 111.435 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.16 159.07 32.15 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.633 -0.987 . . . . 25.0 110.633 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.61 140.57 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 63.95 30.68 14.13 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 139.5 54.92 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.263 -1.755 . . . . 25.0 106.263 173.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -84.52 149.1 26.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.512 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 -39.6 91.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.44 -38.8 85.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 25.0 111.46 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.8 -38.09 88.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.532 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.36 -42.1 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.019 -0.537 . . . . 25.0 109.74 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.6 -21.21 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 78.9 mtm -76.44 -40.11 51.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.402 0.62 . . . . 25.0 109.788 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.73 -35.0 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.95 -22.03 34.77 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.97 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 25.0 111.987 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.44 156.65 20.74 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.563 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.64 74.72 2.02 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.575 0.702 . . . . 25.0 111.546 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.09 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.822 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.92 -2.28 11.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.33 -59.9 4.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.07 -1.062 . . . . 25.0 112.565 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.03 -2.33 7.08 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.68 -2.36 79.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 108.478 -1.849 . . . . 25.0 108.478 -171.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.96 157.3 26.99 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.61 158.81 43.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -79.1 152.31 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.443 -2.058 . . . . 25.0 105.443 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -37.04 7.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.515 1.302 . . . . 25.0 114.515 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.13 -34.86 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.99 -33.42 51.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.02 -43.84 91.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.986 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.3 -33.28 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.579 -0.701 . . . . 25.0 109.521 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -70.47 -38.17 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.32 -0.238 . . . . 25.0 110.692 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.69 -41.42 98.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.983 0.421 . . . . 25.0 110.739 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.9 mtm -72.8 -13.15 61.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.73 0.3 . . . . 25.0 111.316 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 124.651 1.18 . . . . 25.0 111.052 -178.551 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.701 0.286 . . . . 25.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -72.56 -38.45 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.09 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.48 98.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.711 -0.222 . . . . 25.0 111.379 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.46 -42.34 99.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.258 0.551 . . . . 25.0 110.653 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.93 -37.55 86.34 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.921 -0.487 . . . . 25.0 110.089 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.02 -40.69 82.89 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 119.348 -0.358 . . . . 25.0 110.597 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -62.56 -44.37 96.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.492 0.587 . . . . 25.0 111.308 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.59 82.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.123 0.487 . . . . 25.0 110.748 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.49 -45.05 66.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.224 0.535 . . . . 25.0 110.342 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -66.5 -22.91 66.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -24.67 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.05 0.452 . . . . 25.0 110.599 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -120.66 2.74 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.383 0.883 . . . . 25.0 113.383 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -81.0 76.91 7.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -79.04 -16.5 56.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.757 -1.111 . . . . 25.0 113.611 -172.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -94.32 -28.03 15.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.218 0.532 . . . . 25.0 110.7 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.5 7.24 61.98 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.996 -0.547 . . . . 25.0 113.318 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.9 -3.43 51.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.836 0.351 . . . . 25.0 111.94 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.15 53.81 Favored Glycine 0 C--O 1.242 0.619 0 N-CA-C 110.603 -0.999 . . . . 25.0 110.603 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.8 p -133.28 162.83 30.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.086 0.47 . . . . 25.0 110.315 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 pt -133.22 166.62 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 104.346 -2.465 . . . . 25.0 104.346 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.1 p -96.69 166.01 11.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.0 p -58.93 -25.77 63.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.709 . . . . 25.0 111.16 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -79.58 -34.2 41.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -77.44 -18.51 57.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.808 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.2 -39.91 70.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.16 0.505 . . . . 25.0 110.217 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.87 -36.85 93.83 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.72 -0.752 . . . . 25.0 112.091 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -38.46 65.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.35 -0.5 . . . . 25.0 111.538 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.18 -49.33 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -45.5 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 25.0 110.366 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -62.12 -36.64 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 m -70.33 -30.68 67.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.686 0.279 . . . . 25.0 110.679 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.56 -3.58 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 111.03 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 -0.36 89.31 Favored Glycine 0 C--O 1.227 -0.339 0 C-N-CA 121.519 -0.372 . . . . 25.0 112.806 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -85.03 125.69 32.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -107.16 91.93 7.26 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.106 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.91 152.78 58.06 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 115.192 -2.739 . . . . 25.0 109.805 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.6 p -71.34 163.19 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.27 -36.84 78.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.868 0.366 . . . . 25.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.52 78.11 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.13 -43.58 98.52 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.04 -41.26 91.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.29 -50.35 63.98 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.314 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.79 -35.28 77.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.416 0.525 . . . . 25.0 112.416 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.71 -29.78 70.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 25.0 110.203 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.1 mt -83.91 -32.9 8.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.099 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.95 -36.55 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.757 0.708 . . . . 25.0 110.114 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.5 -34.24 72.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.548 . . . . 25.0 111.159 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -86.3 -34.34 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.518 0.675 . . . . 25.0 110.547 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -64.69 -19.36 65.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.248 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.46 77.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.499 -0.319 . . . . 25.0 111.239 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.81 -26.95 16.01 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.03 0.919 . . . . 25.0 109.285 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.24 6.04 89.41 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.158 -0.928 . . . . 25.0 114.796 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -71.21 -28.91 64.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.686 0.743 . . . . 25.0 111.426 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.14 78.12 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.2 p -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.504 0.652 . . . . 25.0 110.414 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.5 mt -134.13 121.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.793 -1.558 . . . . 25.0 106.793 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 166.61 20.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.208 0.528 . . . . 25.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -58.1 -45.93 99.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.15 -29.8 47.22 Favored 'Trans proline' 0 C--N 1.356 0.954 1 C-N-CA 112.879 -4.28 . . . . 25.0 114.428 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.05 -32.26 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.815 -0.553 . . . . 25.0 109.572 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -64.22 -43.61 94.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 m -63.35 -41.14 98.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.705 0.288 . . . . 25.0 110.541 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.9 tpp -61.88 -40.54 95.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.949 -0.469 . . . . 25.0 110.322 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtm . . . . . 0 C--O 1.222 -0.39 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.343 177.408 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.216 -0.679 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.91 -45.27 86.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.659 0.742 . . . . 25.0 110.638 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.03 -42.4 59.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.551 . . . . 25.0 109.936 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -69.04 -26.52 65.02 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.041 -0.664 . . . . 25.0 111.253 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.94 -45.83 93.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.967 -0.458 . . . . 25.0 111.28 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.85 -13.81 58.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.813 1.412 . . . . 25.0 114.813 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -61.84 -23.22 66.12 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.8 -15.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -105.3 -7.34 18.95 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.686 0.394 . . . . 25.0 111.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -67.86 129.17 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -66.14 -50.11 65.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -129.65 3.84 5.02 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.56 39.66 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.362 -0.695 . . . . 25.0 111.362 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -110.31 2.7 19.31 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.19 -0.45 89.37 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.74 -0.743 . . . . 25.0 112.719 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -109.94 133.21 53.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.099 0.476 . . . . 25.0 110.564 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -137.26 165.33 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -72.02 149.85 44.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.7 -29.34 68.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.293 0.568 . . . . 25.0 109.943 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.61 90.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.369 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.25 -35.49 71.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.353 0.596 . . . . 25.0 109.661 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.14 -44.78 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -68.37 -27.3 66.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.889 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -61.77 -47.53 84.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -43.34 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.27 -46.07 89.51 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 111.894 0.331 . . . . 25.0 111.894 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.9 m -65.61 -36.65 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.909 0.385 . . . . 25.0 110.739 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.17 -30.73 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.35 -4.68 38.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 25.0 111.656 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.92 94.45 0.1 Allowed Glycine 0 C--O 1.229 -0.214 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.872 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.43 148.0 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.345 0.593 . . . . 25.0 110.341 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -131.91 151.45 51.7 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.16 -47.23 80.67 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.244 -0.182 . . . . 25.0 110.788 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.5 p -123.26 149.36 44.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.28 -29.54 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.643 0.735 . . . . 25.0 109.028 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -56.97 -36.41 70.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.543 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.17 -17.05 61.41 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.658 -0.651 . . . . 25.0 111.823 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.8 t -91.0 -35.74 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.8 -37.36 78.92 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.212 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 tpp -74.5 -39.31 62.49 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.028 0.918 . . . . 25.0 110.179 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.15 -34.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.974 -1.012 . . . . 25.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.86 -30.58 65.92 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.143 1.164 . . . . 25.0 114.143 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.67 -29.25 64.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.298 0.57 . . . . 25.0 111.703 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.72 153.57 30.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.528 0.68 . . . . 25.0 111.721 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.06 142.85 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.78 161.95 40.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.19 157.85 33.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.363 0.601 . . . . 25.0 110.241 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.94 -16.17 56.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -106.64 13.55 28.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.049 0.925 . . . . 25.0 111.479 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.59 34.58 19.05 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 115.603 1.001 . . . . 25.0 115.603 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.15 161.42 17.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.93 0.365 . . . . 25.0 110.687 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.09 154.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -89.47 100.03 12.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.114 -1.81 . . . . 25.0 106.114 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -60.31 -25.57 65.87 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.76 -39.78 92.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.907 0.384 . . . . 25.0 111.837 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -78.16 -27.52 48.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -33.39 68.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.782 -0.574 . . . . 25.0 109.674 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -43.26 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 107.578 -1.267 . . . . 25.0 107.578 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.87 -42.69 99.35 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.361 . . . . 25.0 111.664 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -75.01 -25.31 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 -175.471 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.224 -0.272 0 CA-C-O 121.284 0.564 . . . . 25.0 109.526 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.259 -0.428 . . . . 25.0 109.94 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.31 -39.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.6 98.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.244 -0.285 . . . . 25.0 111.029 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -43.71 98.13 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.107 -0.371 . . . . 25.0 110.551 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.64 -36.9 85.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -64.41 -40.11 95.13 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.525 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.28 -45.73 91.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.696 0.68 . . . . 25.0 109.866 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.83 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.758 0.314 . . . . 25.0 111.646 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.07 -44.39 69.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.047 0.451 . . . . 25.0 110.662 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.8 t -64.19 -22.98 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.665 0.386 . . . . 25.0 111.981 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -25.76 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.878 0.37 . . . . 25.0 110.53 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.43 -1.93 12.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.23 70.31 5.59 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -73.33 -26.25 60.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.388 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -79.13 -28.22 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.09 -3.23 69.74 Favored Glycine 0 N--CA 1.46 0.278 0 N-CA-C 116.576 1.39 . . . . 25.0 116.576 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -91.33 5.78 47.93 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 117.493 0.647 . . . . 25.0 110.958 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 28.04 40.83 Favored Glycine 0 CA--C 1.511 -0.195 0 C-N-CA 120.331 -0.938 . . . . 25.0 111.362 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -129.72 152.73 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 pt -131.66 175.36 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 174.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 15.7 p -102.27 160.65 14.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 p -56.53 -37.4 70.42 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.52 -27.83 69.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.669 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -87.72 -8.98 55.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.81 -39.59 77.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.65 96.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 25.0 111.523 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -40.4 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.463 -0.433 . . . . 25.0 111.429 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.36 -45.27 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.12 -42.28 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.994 -0.441 . . . . 25.0 110.301 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -68.31 -22.16 64.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -74.79 -21.33 59.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 mt -82.02 -0.02 42.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -4.79 85.69 Favored Glycine 0 C--O 1.229 -0.2 0 CA-C-N 116.225 -0.443 . . . . 25.0 114.114 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -103.73 134.18 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -87.96 130.61 45.87 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.35 152.48 55.22 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 114.929 -2.914 . . . . 25.0 109.959 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.7 144.06 31.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.67 -36.16 80.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.39 -54.22 26.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.067 0.46 . . . . 25.0 110.763 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.44 -34.13 77.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.583 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 25.0 109.802 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.4 -42.12 75.51 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.18 -46.17 83.06 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.396 0.617 . . . . 25.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.97 -32.74 74.38 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -77.88 -36.87 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.1 -36.44 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 25.0 111.451 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 -38.01 13.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.511 0.672 . . . . 25.0 110.581 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -68.02 -14.71 63.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.481 . . . . 25.0 110.46 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.62 81.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.417 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -92.1 -24.58 19.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.85 6.07 82.99 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 118.078 1.991 . . . . 25.0 118.078 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.2 -28.99 66.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.825 1.312 . . . . 25.0 112.227 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.31 13.9 68.23 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.083 -0.579 . . . . 25.0 114.172 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 36.1 p -124.74 158.23 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.29 122.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.866 -1.901 . . . . 25.0 105.866 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.09 171.53 11.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.733 0.778 . . . . 25.0 109.015 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.59 -46.53 76.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -66.24 -24.81 50.55 Favored 'Trans proline' 0 C--N 1.357 0.981 1 C-N-CA 112.844 -4.304 . . . . 25.0 113.686 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.47 -39.13 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.16 -40.22 95.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.929 -0.482 . . . . 25.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 m -65.09 -37.91 89.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.349 0.595 . . . . 25.0 110.322 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.4 ttm -62.83 -41.46 99.34 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.2 mmt . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 25.0 110.902 178.412 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -62.58 -40.34 96.57 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.01 -40.89 88.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -66.21 -32.54 74.03 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.834 -0.346 . . . . 25.0 111.34 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.68 -42.88 93.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.371 . . . . 25.0 110.458 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.48 83.78 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.347 0.594 . . . . 25.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -84.38 -10.18 57.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.53 -32.02 69.93 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -173.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.31 -16.75 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.34 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.06 -34.94 10.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -85.8 49.72 1.83 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 105.659 -1.978 . . . . 25.0 105.659 172.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.6 -43.14 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 113.553 -1.658 . . . . 25.0 113.623 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 6.97 47.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.189 -0.459 . . . . 25.0 112.035 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.74 34.65 89.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.404 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -16.16 24.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 -173.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.94 88.33 Favored Glycine 0 N--CA 1.46 0.298 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -135.97 137.75 41.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 103.883 -2.636 . . . . 25.0 103.883 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.45 158.86 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -67.98 149.3 49.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.09 67.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.193 0.521 . . . . 25.0 111.19 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.54 93.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.959 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.57 -39.05 81.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.125 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -66.1 -40.11 90.5 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.096 -0.642 . . . . 25.0 109.425 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -62.31 -37.46 85.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -61.41 -45.26 95.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.426 -0.213 . . . . 25.0 110.426 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.7 -45.15 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 121.089 0.471 . . . . 25.0 109.769 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.9 mtt -63.49 -36.15 82.81 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.351 0.871 . . . . 25.0 113.351 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.4 t -87.02 -8.89 56.71 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.136 0.421 . . . . 25.0 112.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -69.67 -27.33 64.94 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.36 -12.28 59.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.059 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 170.94 12.43 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 109.626 -1.39 . . . . 25.0 109.626 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.24 162.26 29.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -123.69 164.78 18.43 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -64.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -174.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.0 p -119.07 157.31 28.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.662 0.267 . . . . 25.0 110.318 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -76.08 -30.08 58.18 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.39 -25.2 67.46 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.22 -35.76 78.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.954 0.883 . . . . 25.0 108.631 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.61 -47.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.638 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -56.9 -38.64 73.1 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -37.3 76.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.909 0.777 . . . . 25.0 111.235 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.4 mtm -72.6 -37.56 68.07 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.722 -0.611 . . . . 25.0 110.961 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.6 mm -70.46 -26.58 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.67 -18.25 63.77 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.24 -31.34 68.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.723 0.773 . . . . 25.0 109.934 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.25 167.34 15.74 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.378 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -81.47 72.39 8.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.977 1.103 . . . . 25.0 113.977 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.78 -42.04 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -83.08 -8.39 59.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.8 -63.05 1.22 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 119.879 -1.153 . . . . 25.0 113.847 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -125.87 -10.24 6.64 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.509 0.671 . . . . 25.0 111.211 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.58 24.53 65.0 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.776 -0.725 . . . . 25.0 112.452 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.54 167.98 10.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.136 0.493 . . . . 25.0 111.181 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.73 144.97 35.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -84.19 94.96 8.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.31 -34.86 77.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.301 -0.863 . . . . 25.0 112.788 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.14 -37.97 70.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -88.91 -36.52 15.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.754 0.788 . . . . 25.0 110.151 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -33.26 70.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.4 0.518 . . . . 25.0 112.4 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.7 -39.05 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -81.09 -27.62 35.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.634 0.652 . . . . 25.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.0 ttp -68.31 -37.96 81.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.781 0.324 . . . . 25.0 110.879 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.1 mtt -63.08 -23.08 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.917 -0.129 . . . . 25.0 110.913 -178.495 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 120.791 0.329 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -70.65 -30.55 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.081 -0.387 . . . . 25.0 110.701 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.37 -36.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.39 90.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.192 -0.318 . . . . 25.0 110.591 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.42 -42.25 96.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.175 0.512 . . . . 25.0 109.923 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -63.28 -39.02 93.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.02 -36.84 75.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -41.03 96.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.936 0.789 . . . . 25.0 109.447 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.176 0.513 . . . . 25.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -69.25 -45.89 68.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.421 0.629 . . . . 25.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -70.75 -20.71 62.6 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.245 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -22.62 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.48 -1.67 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -71.61 125.65 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.188 -2.523 . . . . 25.0 104.188 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -97.95 -16.78 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.7 -27.93 4.99 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.97 9.9 44.25 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -75.62 -9.53 58.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.14 27.87 32.48 Favored Glycine 0 C--O 1.237 0.334 0 N-CA-C 110.869 -0.892 . . . . 25.0 110.869 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.3 p -133.8 159.26 41.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 pt -138.37 167.02 22.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.569 -2.012 . . . . 25.0 105.569 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 81.4 p -89.89 162.85 15.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -59.16 -36.16 74.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.234 0.54 . . . . 25.0 111.866 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -68.48 -27.9 66.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.966 -0.458 . . . . 25.0 111.303 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -17.42 59.03 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.206 -0.309 . . . . 25.0 110.726 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -36.09 72.49 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 110.534 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.29 -37.79 93.59 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.634 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.88 66.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.279 -0.542 . . . . 25.0 111.299 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.46 -47.81 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.71 -38.01 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.374 0.607 . . . . 25.0 110.094 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -65.79 -34.17 77.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.558 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -66.73 -32.23 73.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.969 0.35 . . . . 25.0 110.102 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.96 2.02 18.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.323 0.582 . . . . 25.0 110.428 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.11 -4.88 86.02 Favored Glycine 0 C--O 1.234 0.148 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.43 135.01 37.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.5 0.667 . . . . 25.0 110.431 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.62 91.96 48.6 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.37 164.32 35.48 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 118.412 -0.592 . . . . 25.0 111.268 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -73.67 162.28 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.84 -36.67 79.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.121 -0.362 . . . . 25.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.64 71.83 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.813 0.339 . . . . 25.0 110.722 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.26 -34.86 78.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.335 0.588 . . . . 25.0 110.374 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.87 -42.09 97.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.33 -40.87 85.95 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.442 -0.344 . . . . 25.0 111.15 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -60.87 -41.61 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.987 0.358 . . . . 25.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.6 mtm -65.79 -32.94 74.76 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.12 0.486 . . . . 25.0 110.882 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.65 -37.74 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.282 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.13 -40.0 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.61 -9.15 59.27 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 52.8 t -110.37 -42.9 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -89.55 43.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.848 0.832 . . . . 25.0 110.8 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.51 -23.35 67.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.617 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -82.54 -17.21 45.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.396 0.617 . . . . 25.0 111.17 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.72 18.12 73.75 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 115.309 0.883 . . . . 25.0 115.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -73.33 -23.54 60.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 117.235 0.517 . . . . 25.0 111.654 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.71 22.87 59.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 25.0 111.413 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 40.7 p -129.57 155.72 45.34 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.677 0.391 . . . . 25.0 111.974 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -136.89 125.95 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.57 165.61 13.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.869 0.842 . . . . 25.0 109.815 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -61.12 -43.51 90.83 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 115.993 1.849 . . . . 25.0 115.993 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.54 -29.48 44.35 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 112.933 -4.245 . . . . 25.0 114.864 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.54 -36.61 68.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.798 0.808 . . . . 25.0 108.919 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.07 -41.62 98.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.54 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.15 -35.95 80.79 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 122.012 -0.43 . . . . 25.0 111.428 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -60.46 -37.9 82.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.8 tpp -58.85 -44.74 91.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 25.0 110.454 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.549 0.69 . . . . 25.0 110.857 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 116.433 2.012 . . . . 25.0 116.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.38 -45.64 92.25 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.702 -0.799 . . . . 25.0 109.124 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.0 mt -64.92 -38.74 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -63.17 -44.31 95.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.964 -1.017 . . . . 25.0 113.242 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.98 -28.71 20.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 115.32 1.6 . . . . 25.0 115.32 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.08 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -78.62 -15.52 58.43 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.572 -0.705 . . . . 25.0 112.869 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -70.49 -29.9 66.56 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.768 -0.583 . . . . 25.0 112.341 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.65 -9.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -109.52 6.64 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.853 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -76.23 100.24 5.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.9 0.857 . . . . 25.0 109.446 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -63.58 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -119.15 -4.71 10.51 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.56 25.78 73.3 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.047 -1.221 . . . . 25.0 110.047 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -123.35 8.41 9.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.73 3.44 90.34 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.72 134.74 54.85 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.441 1.121 . . . . 25.0 112.821 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.71 165.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.587 -1.634 . . . . 25.0 106.587 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 47.9 t -79.09 156.91 28.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.42 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.517 0.675 . . . . 25.0 110.812 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.5 87.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.153 0.501 . . . . 25.0 110.507 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.78 -37.88 64.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.17 -47.63 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -37.02 76.08 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 121.004 -0.278 . . . . 25.0 110.457 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -60.32 -46.39 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.793 -0.363 . . . . 25.0 110.953 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.57 -44.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -41.07 86.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.259 0.466 . . . . 25.0 112.259 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.2 p -75.94 -8.28 56.56 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -98.04 -29.13 13.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 25.0 110.107 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.6 tp -94.61 -33.17 13.1 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.95 141.38 23.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.741 1.056 . . . . 25.0 115.741 -175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.33 -3.4 57.45 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.047 0.451 . . . . 25.0 111.898 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.34 119.78 10.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.04 -8.09 58.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.993 1.108 . . . . 25.0 113.993 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -118.98 136.04 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.325 -0.25 . . . . 25.0 110.325 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.55 -41.21 97.04 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -59.72 -36.1 75.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -71.02 -22.35 62.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.717 -0.614 . . . . 25.0 111.424 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -84.07 -44.39 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.666 -1.605 . . . . 25.0 106.666 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.7 -34.42 77.82 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.714 -1.13 . . . . 25.0 111.97 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -50.6 -49.34 56.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.122 0.487 . . . . 25.0 111.358 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.3 ttp -65.08 -41.18 95.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.601 0.715 . . . . 25.0 111.169 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.55 -39.62 78.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.133 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -62.76 -24.9 67.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.33 -32.29 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.64 -40.37 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 105.34 11.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.087 0.946 . . . . 25.0 112.47 -173.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 pt -75.62 114.56 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.132 -0.94 . . . . 25.0 113.436 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.63 -18.06 50.99 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.699 -0.682 . . . . 25.0 112.025 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.9 85.02 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.216 -0.516 . . . . 25.0 112.858 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 -27.61 7.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.816 0.341 . . . . 25.0 110.919 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.19 -5.95 24.22 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 116.598 -0.274 . . . . 25.0 113.333 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 39.5 mt-30 -117.95 149.73 40.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.561 0.745 . . . . 25.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.05 150.53 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 25.0 111.488 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.08 100.04 12.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.403 -1.702 . . . . 25.0 106.403 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -62.92 -15.53 55.79 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.14 -34.98 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.977 -0.452 . . . . 25.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -73.56 -28.39 61.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -35.42 74.74 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.32 -34.43 77.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 25.0 111.102 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.7 tpp -66.97 -33.47 75.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.878 0.371 . . . . 25.0 111.37 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.5 -16.89 60.83 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.163 -0.336 . . . . 25.0 110.866 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.403 0.62 . . . . 25.0 109.735 179.403 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 . . . . . 0 C--O 1.223 -0.333 0 CA-C-O 120.958 0.408 . . . . 25.0 110.747 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -66.83 -38.06 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.6 mt -66.72 -38.09 80.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.82 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.384 -0.371 . . . . 25.0 110.029 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.06 -41.52 96.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.385 0.612 . . . . 25.0 110.084 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -65.54 -34.71 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.87 -0.519 . . . . 25.0 110.623 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -66.14 -39.5 89.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.494 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -67.16 -39.17 86.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -31.84 73.17 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.939 0.399 . . . . 25.0 111.315 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -71.59 -44.79 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -65.87 -14.34 61.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.64 -25.13 66.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.458 . . . . 25.0 111.407 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -110.54 -2.53 16.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -78.88 102.77 8.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.35 1.071 . . . . 25.0 109.145 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -69.8 -24.66 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.54 -1.209 . . . . 25.0 113.771 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.34 -27.07 9.24 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.66 59.2 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.58 0.992 . . . . 25.0 115.58 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.68 -4.71 58.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.568 0.684 . . . . 25.0 112.18 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 27.96 12.14 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 112.01 -0.436 . . . . 25.0 112.01 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -132.68 157.06 45.81 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 35' ' ' VAL . 36.4 pt -136.01 167.91 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 p -84.35 166.32 17.5 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -56.56 -38.81 72.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 25.0 110.717 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -63.52 -37.11 86.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 25.0 111.755 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -12.85 61.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -39.01 70.62 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.152 0.501 . . . . 25.0 110.844 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.77 95.07 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 120.611 -0.804 . . . . 25.0 111.995 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -39.96 70.11 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.65 -0.324 . . . . 25.0 111.831 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG21 HD13 ' A' ' 27' ' ' ILE . 56.2 t -64.84 -45.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ttt -60.26 -39.05 85.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -67.23 -32.32 73.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -73.85 -23.17 59.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.709 0.686 . . . . 25.0 109.793 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.36 -7.51 55.14 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.84 -4.92 36.52 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 117.021 1.569 . . . . 25.0 117.021 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -144.97 123.77 12.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.978 1.389 . . . . 25.0 111.924 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -106.42 145.49 31.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 121.894 -0.504 . . . . 25.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.07 171.64 14.95 Favored 'Trans proline' 0 C--O 1.24 0.607 0 N-CA-C 110.236 -0.717 . . . . 25.0 110.236 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -70.86 149.3 46.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.078 -2.193 . . . . 25.0 105.078 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.76 -28.06 68.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.53 95.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.94 0.4 . . . . 25.0 110.625 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -77.34 -26.97 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.061 0.457 . . . . 25.0 110.012 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.07 -43.42 95.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.47 -37.29 82.69 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.82 -44.68 90.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.012 0.434 . . . . 25.0 111.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.9 mtm -68.49 -35.54 77.66 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.434 0.635 . . . . 25.0 111.185 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.11 -34.24 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.156 -0.474 . . . . 25.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.61 -34.52 51.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.201 -0.312 . . . . 25.0 111.178 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.66 -39.16 90.38 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.753 0.706 . . . . 25.0 110.814 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -81.4 -37.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.456 0.646 . . . . 25.0 111.249 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -72.39 -18.42 61.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.097 -0.377 . . . . 25.0 110.49 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.42 79.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.71 -25.5 49.42 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.38 71.49 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.426 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -68.91 -33.94 74.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.02 -9.89 3.58 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 116.568 1.387 . . . . 25.0 116.568 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -132.23 163.96 27.44 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.332 1.066 . . . . 25.0 110.926 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -135.06 124.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 164.5 20.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.344 0.592 . . . . 25.0 109.752 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.28 -47.01 99.59 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.69 -33.81 85.2 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 114.213 -3.392 . . . . 25.0 114.571 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -72.7 -32.67 65.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.969 -0.457 . . . . 25.0 110.452 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.65 -43.14 99.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.18 -39.35 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.468 . . . . 25.0 110.183 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.4 m -60.9 -40.1 91.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.768 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtt -58.8 -35.01 72.14 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.2 mmt . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.103 0.477 . . . . 25.0 109.758 -178.687 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 . . . . . 0 C--O 1.224 -0.25 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -36.21 74.95 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.649 0.659 . . . . 25.0 109.592 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.9 mt -84.34 -39.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.527 0.68 . . . . 25.0 109.309 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -71.72 -12.5 61.35 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 114.041 1.126 . . . . 25.0 114.041 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.57 -40.9 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.92 67.12 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -95.93 -32.04 12.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 25.0 110.256 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.73 -35.81 79.14 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.115 0.566 . . . . 25.0 111.327 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.71 -18.52 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 120.772 0.32 . . . . 25.0 111.447 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CD1' HG22 ' A' ' 108' ' ' VAL . 81.7 m-85 -106.25 5.98 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.979 -0.451 . . . . 25.0 111.015 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -82.43 88.03 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.03 -44.6 4.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 116.747 2.129 . . . . 25.0 116.747 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.05 8.31 10.4 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.48 56.64 Favored Glycine 0 N--CA 1.463 0.463 0 C-N-CA 120.744 -0.741 . . . . 25.0 112.196 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -77.25 -28.83 53.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.23 -9.09 76.49 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 122.225 0.903 . . . . 25.0 111.142 -173.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -138.9 143.67 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 pt -137.49 166.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 45.0 t -67.39 151.8 46.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.009 -0.676 . . . . 25.0 110.063 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.423 0.63 . . . . 25.0 110.618 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.05 73.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.383 0.611 . . . . 25.0 110.101 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.54 -44.07 83.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.17 -39.24 92.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.11 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -65.5 -29.37 70.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.789 -0.569 . . . . 25.0 110.428 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -69.3 -37.98 78.07 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.768 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 92' ' ' PHE . 28.4 t -63.99 -38.96 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.2 tpp -56.95 -46.71 81.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 p -72.65 -18.6 61.55 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -73.66 -29.02 62.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.73 -32.44 21.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 25.0 111.634 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.83 -172.44 36.38 Favored Glycine 0 C--O 1.224 -0.493 0 C-N-CA 120.629 -0.796 . . . . 25.0 114.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -109.46 159.93 16.63 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -123.91 165.59 17.12 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.82 -49.05 76.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.1 t -123.65 149.3 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.387 -0.227 . . . . 25.0 110.387 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.06 -22.07 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -56.29 -36.8 69.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.993 0.425 . . . . 25.0 111.3 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.605 0.716 . . . . 25.0 110.492 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -73.39 -38.74 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -46.4 86.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.79 -36.87 76.07 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.927 -0.709 . . . . 25.0 111.264 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.1 ttp -67.38 -38.79 85.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.633 0.254 . . . . 25.0 111.029 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.43 -42.5 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.04 -37.51 77.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.18 -30.18 69.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.99 0.424 . . . . 25.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.99 1.12 56.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.82 1.415 . . . . 25.0 114.82 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.93 116.71 9.71 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 85.9 mt -123.27 -52.32 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.67 139.18 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.344 0.593 . . . . 25.0 111.697 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.06 -17.28 63.23 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.727 -0.669 . . . . 25.0 113.678 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.31 8.08 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.082 0.468 . . . . 25.0 110.514 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.67 39.06 14.92 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.922 -0.656 . . . . 25.0 113.25 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 38.5 mt-30 -117.94 151.39 37.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.357 0.598 . . . . 25.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.53 146.91 33.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.96 100.05 10.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -63.87 -21.13 66.31 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.929 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.68 -44.52 90.24 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.061 0.393 . . . . 25.0 112.061 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -87.83 -23.64 23.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.73 -43.23 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.89 -38.67 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.08 -34.68 76.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.997 -0.439 . . . . 25.0 110.725 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.5 tpp -62.49 -33.66 75.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.253 0.549 . . . . 25.0 110.983 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.6 mtt -71.91 -9.68 58.69 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.786 -0.571 . . . . 25.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.54 -30.17 59.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.066 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.66 -34.69 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.37 87.39 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.15 -0.344 . . . . 25.0 110.367 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.21 -42.46 98.64 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -65.0 -40.36 94.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -62.3 -47.22 85.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.7 -35.48 78.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.109 -0.636 . . . . 25.0 110.59 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.53 77.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.043 0.449 . . . . 25.0 110.368 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -70.14 -46.66 64.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.392 0.615 . . . . 25.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -68.7 -14.9 63.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.06 -32.12 71.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -104.25 -26.24 12.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.777 -0.647 . . . . 25.0 112.322 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -78.21 89.67 4.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -98.05 -2.7 39.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.488 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.27 -27.9 12.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.11 0.481 . . . . 25.0 110.302 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.27 17.25 34.9 Favored Glycine 0 C--O 1.23 -0.129 0 CA-C-N 115.999 -0.546 . . . . 25.0 114.399 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -77.16 -13.86 59.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 16.57 68.4 Favored Glycine 0 C--O 1.239 0.431 0 C-N-CA 121.265 -0.493 . . . . 25.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -132.16 163.62 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.19 0.519 . . . . 25.0 111.779 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -135.65 170.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 103.669 -2.715 . . . . 25.0 103.669 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -87.4 161.9 17.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 p -60.05 -29.27 68.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.783 0.802 . . . . 25.0 110.662 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -83.12 -19.77 36.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.476 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.34 -9.5 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.55 -42.09 77.94 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.91 -38.88 96.06 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.705 -0.679 . . . . 25.0 112.056 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -40.53 80.29 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.179 -0.6 . . . . 25.0 111.707 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.83 -45.91 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.0 ttm -60.91 -39.98 91.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.037 0.446 . . . . 25.0 111.076 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.39 -22.8 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -74.56 -23.55 58.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.86 6.21 36.61 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.593 0.711 . . . . 25.0 109.097 175.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -4.98 83.44 Favored Glycine 0 N--CA 1.454 -0.117 0 N-CA-C 116.198 1.239 . . . . 25.0 116.198 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.49 123.09 36.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.569 1.185 . . . . 25.0 108.717 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.99 103.64 50.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.14 162.95 31.13 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 116.982 -1.545 . . . . 25.0 111.142 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 145.91 51.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 173.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.58 -22.06 66.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -50.88 62.4 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.18 -40.0 94.57 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.47 -42.91 99.5 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.061 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.07 -43.23 83.15 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.959 -0.296 . . . . 25.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -59.33 -42.57 91.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.947 0.403 . . . . 25.0 110.149 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtt -65.91 -31.96 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.173 -0.33 . . . . 25.0 111.688 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.86 -40.65 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.13 -40.9 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.279 0.49 . . . . 25.0 111.533 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -57.37 -35.8 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.46 . . . . 25.0 112.243 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.1 t -95.56 -32.25 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.156 0.503 . . . . 25.0 112.012 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.92 -13.84 62.67 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.463 -0.773 . . . . 25.0 108.969 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.41 78.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.475 0.31 . . . . 25.0 110.828 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.89 -25.25 61.0 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.712 1.244 . . . . 25.0 108.575 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.21 5.99 88.42 Favored Glycine 0 C--N 1.322 -0.244 0 CA-C-N 114.092 -1.413 . . . . 25.0 115.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.29 -28.82 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.01 0.905 . . . . 25.0 109.859 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.04 25.61 69.6 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.41 0.924 . . . . 25.0 115.41 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -127.92 152.25 48.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.37 0.585 . . . . 25.0 110.593 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.2 mt -131.62 125.46 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 163.77 21.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.151 0.5 . . . . 25.0 110.36 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.68 -44.89 99.55 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.34 -33.49 47.73 Favored 'Trans proline' 0 C--N 1.356 0.924 1 C-N-CA 112.104 -4.798 . . . . 25.0 114.264 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.61 -25.53 59.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.945 -0.472 . . . . 25.0 111.569 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -55.2 -40.74 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.04 -37.98 45.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.015 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -59.55 -42.33 92.14 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 25.0 111.075 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -60.81 -22.74 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 mmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 121.808 -0.558 . . . . 25.0 111.295 -179.328 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.08 -54.8 41.65 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.55 -43.33 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.955 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.56 -33.05 70.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.255 -0.978 . . . . 25.0 112.606 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.89 -41.59 78.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -36.26 69.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.03 0.443 . . . . 25.0 110.74 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -79.27 -21.21 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -69.51 -14.92 63.12 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.36 -18.89 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 119.685 -0.806 . . . . 25.0 109.612 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -98.08 -32.73 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.53 67.6 7.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.832 0.825 . . . . 25.0 109.345 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.14 70.26 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.218 -0.901 . . . . 25.0 113.426 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -95.09 -7.94 38.02 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.653 0.612 . . . . 25.0 112.653 -175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.65 26.52 67.24 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.893 -0.67 . . . . 25.0 113.858 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.04 -9.49 39.54 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.33 9.78 85.49 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.8 -0.714 . . . . 25.0 112.716 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -121.37 138.77 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.902 0.481 . . . . 25.0 110.434 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.2 pt -137.66 164.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.046 -1.835 . . . . 25.0 106.046 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -70.37 150.3 46.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -31.96 69.46 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.9 73.2 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.011 0.434 . . . . 25.0 111.373 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.06 -33.58 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.4 -42.9 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.12 -39.71 83.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -61.38 -45.66 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 119.735 -0.174 . . . . 25.0 110.962 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.84 -46.34 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.49 -44.61 95.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 t -76.1 -8.78 57.78 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -91.07 -25.77 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.91 0.386 . . . . 25.0 110.025 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.22 -15.67 28.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.41 0.522 . . . . 25.0 112.41 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.11 162.35 14.19 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 111.835 -0.506 . . . . 25.0 111.835 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -120.82 145.84 47.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 tttt 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.53 145.04 56.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -93.95 157.93 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.45 -38.47 89.89 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.942 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.13 -35.2 79.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 25.0 111.19 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.75 -37.93 85.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.4 -36.38 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.34 -45.32 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.404 0.621 . . . . 25.0 110.586 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.26 -38.23 76.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.302 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 tpt -68.99 -42.59 76.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.264 0.554 . . . . 25.0 111.078 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -73.53 -40.29 55.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -175.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -60.54 -21.07 62.12 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.9 -23.52 66.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.777 0.322 . . . . 25.0 111.814 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -127.63 16.97 6.96 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.32 135.93 46.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.0 mt -90.6 -24.12 5.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.843 -0.617 . . . . 25.0 109.795 -176.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.32 20.78 4.88 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.91 0.884 . . . . 25.0 113.229 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -59.97 1.37 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 120.506 -0.854 . . . . 25.0 112.766 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -122.46 11.72 9.99 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.598 0.713 . . . . 25.0 109.656 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.38 19.67 77.74 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.02 154.61 31.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.024 0.53 . . . . 25.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.17 155.96 38.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.65 99.79 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -72.08 -24.92 61.58 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.704 1.002 . . . . 25.0 113.704 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -35.24 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.32 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.79 -26.78 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.999 0.428 . . . . 25.0 109.943 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.23 -38.14 84.74 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.08 -43.76 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -62.83 -39.36 94.07 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.966 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.02 -43.1 99.56 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.608 0.363 . . . . 25.0 111.127 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.8 mtm -78.07 -9.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.513 -0.312 . . . . 25.0 111.619 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.475 0.808 0 C-N-CA 124.856 1.263 . . . . 25.0 109.906 -176.832 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 121.673 0.749 . . . . 25.0 109.437 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -74.3 -31.16 62.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 25.0 109.749 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.77 -34.62 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.42 92.96 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.016 -0.427 . . . . 25.0 109.867 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -64.87 -37.82 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.929 -0.482 . . . . 25.0 109.949 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -65.56 -31.87 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.028 -0.42 . . . . 25.0 110.365 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.96 -40.92 83.11 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.118 -0.364 . . . . 25.0 110.049 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -66.77 -36.13 81.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.97 86.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.877 -0.515 . . . . 25.0 110.149 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -69.52 -45.07 69.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.389 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -67.54 -23.32 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.59 -23.89 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.192 -0.317 . . . . 25.0 111.143 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -106.46 -16.24 14.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.885 0.328 . . . . 25.0 111.885 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -82.15 58.95 4.21 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.344 -1.298 . . . . 25.0 112.022 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -77.85 -27.94 49.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.294 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.17 18.02 41.08 Favored Glycine 0 CA--C 1.517 0.169 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 25.0 110.943 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.7 18.92 62.71 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 111.09 -0.804 . . . . 25.0 111.09 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -136.17 164.64 27.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.072 0.463 . . . . 25.0 111.627 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -134.38 165.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 103.897 -2.631 . . . . 25.0 103.897 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -85.08 162.6 19.23 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.329 -0.857 . . . . 25.0 108.731 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.4 -22.53 61.54 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.524 0.565 . . . . 25.0 112.524 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -87.86 -29.8 20.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.092 -0.38 . . . . 25.0 111.092 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.68 -13.11 60.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.056 0.455 . . . . 25.0 111.098 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.54 -41.6 66.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 25.0 110.069 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.27 -40.08 97.61 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.697 -0.763 . . . . 25.0 112.18 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -40.11 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.516 -0.402 . . . . 25.0 111.383 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mtp -64.22 -38.39 90.88 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.459 -0.776 . . . . 25.0 111.09 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -72.7 -12.53 61.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 t -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.12 4.04 43.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.046 0.451 . . . . 25.0 109.949 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.55 88.66 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.46 -0.4 . . . . 25.0 113.684 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -85.0 127.62 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.6 0.7 . . . . 25.0 110.246 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -88.04 108.41 21.24 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.73 152.73 47.93 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 114.505 -3.197 . . . . 25.0 110.233 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.99 139.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.919 -1.882 . . . . 25.0 105.919 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.53 -27.35 66.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.772 -0.58 . . . . 25.0 111.692 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.06 92.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.65 -42.56 91.28 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.833 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -41.78 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.245 -0.182 . . . . 25.0 110.677 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.25 -51.87 66.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -71.49 -32.03 67.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.7 mtt -62.34 -36.73 83.1 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -43.21 93.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.23 -38.92 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 122.181 -0.325 . . . . 25.0 111.646 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.74 -34.32 76.97 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.029 -0.419 . . . . 25.0 111.351 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.7 t -84.78 -38.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.364 0.602 . . . . 25.0 111.315 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -66.57 -7.87 23.1 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.936 -0.477 . . . . 25.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.46 80.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.294 0.238 . . . . 25.0 110.452 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -87.22 -27.03 23.22 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 8.2 84.6 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 114.855 -1.066 . . . . 25.0 114.58 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -68.56 -28.86 67.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 117.578 0.689 . . . . 25.0 111.899 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 2.41 68.81 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 p -126.05 163.86 22.13 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.7 mt -127.97 113.49 31.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 105.234 -2.135 . . . . 25.0 105.234 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.71 172.22 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.04 -45.76 91.52 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.46 -24.18 42.9 Favored 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 112.733 -4.378 . . . . 25.0 113.95 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.21 -36.94 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.24 -44.47 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.58 -37.02 85.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.215 -0.303 . . . . 25.0 110.862 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -63.61 -40.28 96.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.5 tpp -66.0 -36.31 82.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.206 -0.309 . . . . 25.0 111.227 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt . . . . . 0 N--CA 1.467 0.404 0 O-C-N 121.667 -0.646 . . . . 25.0 109.358 176.746 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -59.08 -39.46 82.23 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.743 0.702 . . . . 25.0 111.77 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.38 -40.42 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.758 0.789 . . . . 25.0 109.555 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -73.16 -31.45 64.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.05 -36.65 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.79 64.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.354 0.501 . . . . 25.0 112.354 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -95.85 -27.63 15.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.24 0.459 . . . . 25.0 112.24 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -61.57 -31.97 72.04 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.69 -9.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -110.16 3.75 20.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.438 0.295 . . . . 25.0 111.506 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.6 121.21 11.03 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.997 0.427 . . . . 25.0 111.7 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -37.63 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 115.796 1.776 . . . . 25.0 115.796 -173.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.95 4.71 5.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.482 0.658 . . . . 25.0 110.8 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.3 24.83 74.53 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.567 -1.813 . . . . 25.0 108.567 -174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -115.47 12.79 16.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -173.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.39 13.29 63.76 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.65 140.17 53.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 pt -139.45 161.53 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 t -71.7 153.32 42.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.533 -0.73 . . . . 25.0 109.838 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.74 68.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.357 0.599 . . . . 25.0 109.711 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.01 78.23 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.318 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.79 -34.75 72.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.31 -49.87 76.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -65.68 -31.72 72.88 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.682 -0.407 . . . . 25.0 110.854 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -61.73 -45.32 94.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.163 -0.215 . . . . 25.0 110.575 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.04 -45.5 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.45 -42.22 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 t -76.81 -15.26 59.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.629 -0.669 . . . . 25.0 111.882 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.52 -25.01 59.06 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.268 -0.27 . . . . 25.0 110.953 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.84 51.99 1.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.075 0.94 . . . . 25.0 110.378 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.31 174.52 35.5 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.482 -1.047 . . . . 25.0 110.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -150.94 168.32 24.87 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 63.94 -27.08 0.08 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 118.046 2.61 . . . . 25.0 118.046 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.3 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 25.0 111.499 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -112.75 160.96 17.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.52 -48.52 80.57 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -60.3 -34.14 73.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.318 0.58 . . . . 25.0 112.276 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.66 -35.38 79.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.822 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.42 -36.01 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.71 77.63 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 4.7 tp10 -55.9 -38.33 70.07 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.556 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -29.2 37.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.077 0.465 . . . . 25.0 111.045 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.1 -38.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 63.8 mtt180 -61.21 -16.88 49.74 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -97.89 -31.39 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.93 2.88 35.75 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 117.603 2.446 . . . . 25.0 117.603 -173.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.79 161.89 13.37 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 pt -125.27 124.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 25.0 108.976 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -61.53 -24.06 66.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.29 73.34 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.218 -0.515 . . . . 25.0 113.704 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.45 -25.4 5.6 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.44 21.6 78.6 Favored Glycine 0 C--O 1.246 0.848 0 N-CA-C 109.478 -1.449 . . . . 25.0 109.478 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -117.99 158.18 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.552 -0.824 . . . . 25.0 112.092 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.8 m -116.81 156.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -85.32 138.59 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 103.257 -2.868 . . . . 25.0 103.257 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -99.89 -5.69 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.321 -0.952 . . . . 25.0 112.641 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.64 -46.53 78.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.395 -0.595 . . . . 25.0 109.395 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -69.19 -30.77 69.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.16 0.505 . . . . 25.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.38 -38.09 81.02 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.774 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.83 -42.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -60.57 -42.74 97.27 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.991 -0.284 . . . . 25.0 110.493 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 36.8 tpp -60.09 -31.19 69.8 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.189 -0.319 . . . . 25.0 111.763 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.33 -6.3 50.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.245 0.833 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -177.699 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 25.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -69.39 -18.5 63.78 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.657 -0.417 . . . . 25.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -67.11 -34.14 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.93 80.83 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.51 -37.87 88.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.318 0.58 . . . . 25.0 110.2 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.9 -34.02 77.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -68.89 -42.12 77.36 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.38 -37.96 88.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.336 -0.546 . . . . 25.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.126 0.489 . . . . 25.0 110.534 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.02 -46.21 58.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.179 0.514 . . . . 25.0 109.795 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -67.6 -16.84 64.38 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.95 -29.19 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.827 0.822 . . . . 25.0 108.836 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -106.72 -4.19 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -101.78 104.2 14.97 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -97.88 -4.39 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.902 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -108.3 -28.0 9.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.88 9.7 55.92 Favored Glycine 0 C--N 1.322 -0.239 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.685 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -74.27 -12.58 60.59 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 117.316 0.558 . . . . 25.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 23.73 58.06 Favored Glycine 0 C--O 1.235 0.216 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.215 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.6 p -131.64 160.46 35.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 25.0 111.528 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.96 169.83 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 175.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 p -87.1 165.35 15.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 p -60.2 -26.83 66.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.531 0.682 . . . . 25.0 110.991 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 4.1 mptt -73.92 -37.19 64.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.05 -18.04 62.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.46 -43.04 75.12 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.38 -36.96 93.85 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.459 -0.877 . . . . 25.0 111.547 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -35.0 76.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.06 -46.15 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.9 mmt -60.48 -44.65 95.69 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -59.28 -35.37 73.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.781 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -69.17 -25.15 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.3 -0.25 . . . . 25.0 111.326 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.49 0.48 56.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.128 0.489 . . . . 25.0 110.129 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.57 0.28 88.06 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.893 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.12 132.09 34.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.966 0.413 . . . . 25.0 110.518 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.23 92.27 18.38 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.319 -0.4 . . . . 25.0 110.267 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.56 153.58 73.33 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 115.373 -2.618 . . . . 25.0 110.754 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.91 139.58 50.76 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 174.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.36 -27.51 68.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.9 87.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.031 -0.418 . . . . 25.0 110.405 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.93 -35.68 72.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.42 -35.54 80.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.57 -44.72 93.28 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.416 -0.326 . . . . 25.0 110.127 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.86 -41.9 92.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.209 0.458 . . . . 25.0 110.502 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.5 mtt -61.27 -34.19 74.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 111.403 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.06 -45.26 22.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 mm -60.85 -39.95 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.51 -27.11 68.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.511 -0.876 . . . . 25.0 111.71 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.08 -33.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.606 0.717 . . . . 25.0 110.136 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.01 -26.2 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.81 70.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.778 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.57 -24.06 60.04 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.597 1.189 . . . . 25.0 108.95 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.95 8.93 87.25 Favored Glycine 0 N--CA 1.458 0.156 0 CA-C-N 113.359 -1.746 . . . . 25.0 115.814 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -88.27 -28.94 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.48 25.24 60.43 Favored Glycine 0 C--O 1.243 0.667 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -128.25 154.11 46.23 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.291 0.637 . . . . 25.0 109.629 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -130.95 126.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 160.76 20.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.982 0.42 . . . . 25.0 110.2 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.77 -46.91 99.68 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.78 -32.88 55.6 Favored 'Trans proline' 0 C--N 1.357 0.978 1 C-N-CA 112.709 -4.394 . . . . 25.0 114.714 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -22.98 51.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.535 -0.728 . . . . 25.0 111.279 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -39.68 94.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 172.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -41.82 75.35 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.188 -0.32 . . . . 25.0 110.207 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -58.72 -38.19 77.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.948 0.404 . . . . 25.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 tpp -59.83 -42.57 93.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.014 0.435 . . . . 25.0 110.625 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.811 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 116.282 1.956 . . . . 25.0 116.282 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.08 -46.19 88.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.796 0.725 . . . . 25.0 111.465 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.01 -41.66 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -65.8 -36.27 83.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.001 -0.545 . . . . 25.0 112.061 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.54 -32.88 74.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.216 -0.302 . . . . 25.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.1 -35.92 70.01 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.609 0.242 . . . . 25.0 110.832 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -86.52 -37.84 17.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.067 0.46 . . . . 25.0 110.597 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -58.55 -33.11 69.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.69 -17.93 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 O-C-N 121.78 -0.575 . . . . 25.0 111.517 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.38 -1.45 35.99 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.95 -0.469 . . . . 25.0 111.473 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.96 74.91 7.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.494 1.14 . . . . 25.0 109.131 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -69.89 -23.74 63.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.662 -175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -93.25 -11.75 31.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.918 0.389 . . . . 25.0 111.019 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.26 27.61 72.6 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 116.267 -0.424 . . . . 25.0 112.136 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -123.21 8.28 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 -174.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.55 5.85 84.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.97 -0.633 . . . . 25.0 114.405 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -115.51 140.19 49.38 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.67 0.735 . . . . 25.0 111.333 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.88 160.87 36.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 104.861 -2.274 . . . . 25.0 104.861 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 43.9 t -73.7 152.99 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.11 -25.27 65.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.949 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.5 96.34 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -74.36 -34.24 63.31 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.909 -0.774 . . . . 25.0 108.909 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -66.0 -31.24 72.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.701 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -66.76 -36.82 83.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.191 -0.318 . . . . 25.0 110.809 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.49 -45.87 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.4 -38.91 88.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.948 0.88 . . . . 25.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -17.26 62.43 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.165 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -86.91 -40.72 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.34 -31.51 72.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.956 0.408 . . . . 25.0 111.086 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.18 21.95 21.26 Favored Glycine 0 C--O 1.23 -0.148 0 C-N-CA 120.798 -0.715 . . . . 25.0 114.862 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.67 81.85 1.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -140.72 41.87 1.85 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -171.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.52 -55.28 16.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.33 157.25 28.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 169.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.32 -23.11 66.31 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.94 0.876 . . . . 25.0 109.004 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.91 -22.74 65.06 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.929 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.14 -38.12 89.93 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.639 0.733 . . . . 25.0 109.607 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.57 -42.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 122.054 0.93 . . . . 25.0 109.723 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -44.02 61.5 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -173.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.42 -39.39 90.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.094 -0.379 . . . . 25.0 111.356 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.8 mmm -62.0 -27.14 68.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 -37.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.28 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.91 -23.09 66.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -72.67 -24.91 61.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.507 0.67 . . . . 25.0 111.44 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.59 168.94 15.91 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.605 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.2 163.66 27.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.835 -0.62 . . . . 25.0 110.636 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 pt -77.23 164.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 114.989 1.477 . . . . 25.0 114.989 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.49 124.73 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.12 -0.946 . . . . 25.0 109.977 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.32 -59.94 1.51 Allowed Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -107.0 12.06 29.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.677 0.751 . . . . 25.0 109.495 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.64 -2.34 82.45 Favored Glycine 0 C--O 1.236 0.266 0 CA-C-N 115.869 -0.605 . . . . 25.0 112.5 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 83.5 mt-30 -117.68 149.8 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.019 0.527 . . . . 25.0 111.414 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -133.37 155.48 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -92.26 100.96 13.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.153 0.978 . . . . 25.0 111.625 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -62.03 -23.91 66.74 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.13 -35.57 81.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 25.0 111.652 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -88.97 -26.75 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.656 -0.653 . . . . 25.0 109.46 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -66.89 -42.72 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.714 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.68 -31.55 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -72.23 -39.86 68.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.425 -0.584 . . . . 25.0 109.425 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.8 tpp -65.15 -34.54 78.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.819 0.343 . . . . 25.0 111.111 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.79 -28.23 68.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 -179.415 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.225 -0.189 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.58 -32.44 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.679 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.41 -38.26 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.63 96.15 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -61.73 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.309 0.576 . . . . 25.0 109.933 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.1 -36.39 83.86 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.092 -0.38 . . . . 25.0 110.025 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -40.94 95.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.439 -0.163 . . . . 25.0 111.258 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.3 -40.78 86.09 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.63 -0.828 . . . . 25.0 110.196 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -35.39 80.92 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.226 0.536 . . . . 25.0 110.979 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.58 -46.01 70.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.223 0.535 . . . . 25.0 110.055 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -68.52 -15.08 63.42 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -22.34 66.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.8 m-85 -113.93 -22.97 9.84 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -77.37 87.99 3.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.353 1.073 . . . . 25.0 108.773 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -69.61 -24.9 63.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.492 -1.231 . . . . 25.0 114.181 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.01 -27.77 12.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -172.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.63 40.17 Favored Glycine 0 C--N 1.321 -0.257 0 C-N-CA 121.507 -0.377 . . . . 25.0 113.607 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.1 -11.63 59.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.023 0.439 . . . . 25.0 111.043 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.85 44.51 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 121.349 -0.453 . . . . 25.0 112.841 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 p -132.2 162.5 30.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.207 0.527 . . . . 25.0 112.333 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.07 162.45 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 103.089 -2.93 . . . . 25.0 103.089 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.0 p -82.19 161.1 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.754 1.161 . . . . 25.0 108.725 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.4 p -59.5 -36.73 76.62 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 122.107 0.956 . . . . 25.0 108.838 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.66 -36.05 75.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.817 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.17 -12.02 58.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.23 -46.1 62.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.195 0.521 . . . . 25.0 111.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.65 -34.29 89.51 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.673 -0.775 . . . . 25.0 112.425 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -41.01 61.67 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.284 -0.539 . . . . 25.0 111.018 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 19' ' ' PHE . 73.9 t -65.81 -48.46 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 tpt -59.88 -42.24 93.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 25.0 110.646 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.0 -24.07 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.967 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -68.22 -19.03 64.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.003 -0.436 . . . . 25.0 111.835 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.24 8.04 29.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.126 0.489 . . . . 25.0 110.461 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.05 4.78 88.2 Favored Glycine 0 C--O 1.223 -0.552 0 C-N-CA 121.07 -0.586 . . . . 25.0 114.379 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -130.5 132.08 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -103.97 143.13 26.04 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.92 168.82 20.29 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 117.005 -1.53 . . . . 25.0 108.612 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -75.34 155.82 36.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 103.242 -2.873 . . . . 25.0 103.242 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -62.27 -27.26 68.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.676 -0.64 . . . . 25.0 112.106 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.86 92.47 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.473 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.71 -43.22 97.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.288 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.74 -47.46 72.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.304 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.21 -43.59 98.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 25.0 111.367 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtt -66.12 -30.34 70.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.61 -49.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mm -60.94 -38.72 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.57 -17.39 64.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.88 -41.68 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 25.0 111.696 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -13.81 62.52 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.67 -0.644 . . . . 25.0 111.743 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -28.32 69.83 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 110.938 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.88 -24.07 59.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.236 1.017 . . . . 25.0 109.927 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 6.15 75.29 Favored Glycine 0 C--O 1.23 -0.143 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.124 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -65.78 -28.6 69.13 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.186 0.517 . . . . 25.0 111.789 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.36 -10.09 6.74 Favored Glycine 0 C--O 1.239 0.448 0 N-CA-C 115.991 1.156 . . . . 25.0 115.991 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -128.19 162.16 27.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 117.221 0.51 . . . . 25.0 110.759 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.6 mt -127.09 127.94 70.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.66 170.74 14.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.286 1.041 . . . . 25.0 110.192 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.44 -45.59 77.5 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -65.57 -24.23 56.23 Favored 'Trans proline' 0 C--N 1.356 0.945 1 C-N-CA 112.767 -4.355 . . . . 25.0 114.129 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -71.57 -41.76 68.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.814 -0.809 . . . . 25.0 108.814 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -56.95 -44.61 82.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.51 -35.97 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.091 -0.381 . . . . 25.0 111.193 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.5 m -63.29 -39.61 95.06 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.83 -42.26 97.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.0 mmt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.899 0.381 . . . . 25.0 110.695 179.43 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.65 -44.65 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.513 0.673 . . . . 25.0 109.39 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 84.0 mt -68.21 -42.05 84.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-O 121.697 0.761 . . . . 25.0 109.467 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.51 -41.7 98.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 110.526 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.41 -47.92 66.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.31 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.469 0.914 . . . . 25.0 113.469 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -82.02 -28.46 32.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -65.61 -18.37 65.27 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.18 -28.42 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 120.953 0.406 . . . . 25.0 110.502 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -109.29 14.4 23.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -65.66 111.23 3.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.571 0.7 . . . . 25.0 110.13 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -66.83 -48.55 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.74 5.31 13.1 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.04 29.54 56.83 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 108.198 -1.961 . . . . 25.0 108.198 -175.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -128.69 13.33 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.556 0.743 . . . . 25.0 112.877 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.75 4.56 90.3 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.409 0.924 . . . . 25.0 115.409 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -96.71 136.43 37.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.267 1.033 . . . . 25.0 111.171 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -132.81 163.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 t -77.1 151.89 35.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.91 66.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.446 0.641 . . . . 25.0 109.33 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.9 83.5 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.99 0.424 . . . . 25.0 110.052 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -77.92 -30.78 50.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.048 -0.523 . . . . 25.0 109.773 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.65 -46.04 88.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -63.41 -39.66 95.09 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.458 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.81 -43.75 98.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.779 -0.191 . . . . 25.0 111.205 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.61 -42.27 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.0 mtt -61.37 -43.09 99.47 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.559 -0.456 . . . . 25.0 111.914 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 p -70.53 -26.46 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.929 -0.482 . . . . 25.0 111.461 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.85 -23.11 61.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.748 0.308 . . . . 25.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -90.57 -2.86 57.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.709 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 127.14 123.8 2.66 Favored Glycine 0 CA--C 1.516 0.117 0 CA-C-O 121.503 0.502 . . . . 25.0 112.747 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.51 154.17 42.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.396 0.617 . . . . 25.0 110.572 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -94.63 175.78 6.54 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.32 -47.87 82.35 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.113 0.782 . . . . 25.0 113.113 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.3 t -119.01 152.73 35.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.31 -30.18 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.353 0.596 . . . . 25.0 109.74 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -60.21 -35.03 74.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.463 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.19 -23.37 67.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.386 0.612 . . . . 25.0 110.272 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.25 -48.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -41.48 86.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.453 1.649 . . . . 25.0 115.453 -173.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -68.22 -30.47 69.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.409 -0.516 . . . . 25.0 110.324 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 46.8 ttp -67.4 -31.28 71.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.546 0.689 . . . . 25.0 110.365 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.5 mt -78.29 -32.49 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -66.39 -10.17 40.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.63 -30.61 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 25.0 110.092 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.4 158.9 15.82 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.084 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 65.66 1.06 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 122.016 0.912 . . . . 25.0 112.076 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.1 pt -65.87 -18.03 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.921 1.082 . . . . 25.0 113.921 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.54 -6.81 59.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 25.0 111.002 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.08 -54.59 3.14 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.712 -0.756 . . . . 25.0 114.407 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -120.12 -21.47 7.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 -8.82 11.75 Favored Glycine 0 C--O 1.24 0.508 0 O-C-N 121.832 -0.542 . . . . 25.0 113.45 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -118.01 152.12 36.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.84 149.94 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -87.53 112.2 21.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -61.28 -30.44 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -171.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.2 -42.89 96.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.458 0.647 . . . . 25.0 110.521 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -72.88 -34.93 67.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.446 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -68.45 -33.53 74.35 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.791 -0.764 . . . . 25.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.49 -42.53 95.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.91 -38.04 87.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 25.0 110.585 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.2 ttm -62.61 -41.68 99.14 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.951 0.5 . . . . 25.0 111.391 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mtm -71.81 -17.43 62.16 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.329 -0.232 . . . . 25.0 111.049 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 106.55 -1.648 . . . . 25.0 106.55 -179.698 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -63.73 -35.47 80.68 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.906 -0.317 . . . . 25.0 110.295 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.5 -37.72 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.4 81.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -63.09 -39.63 95.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.233 -0.292 . . . . 25.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -64.79 -39.1 93.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -66.33 -45.82 78.97 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.812 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -69.03 -31.7 70.69 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.575 -0.85 . . . . 25.0 110.27 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.26 86.47 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.62 -42.93 73.7 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 t -57.97 -32.35 67.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.121 0.968 . . . . 25.0 112.707 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.97 -24.85 64.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.3 m-85 -113.52 -2.98 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -85.87 80.23 8.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -24.28 36.63 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.417 -175.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.63 -26.23 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.48 0.919 . . . . 25.0 113.48 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.8 18.4 47.88 Favored Glycine 0 C--N 1.322 -0.241 0 N-CA-C 111.336 -0.706 . . . . 25.0 111.336 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -86.75 -17.73 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.949 0.404 . . . . 25.0 110.429 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.55 14.78 72.7 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-O 119.094 -0.837 . . . . 25.0 114.205 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.15 164.51 21.46 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.132 0.966 . . . . 25.0 112.181 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -133.17 159.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 104.855 -2.276 . . . . 25.0 104.855 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -85.46 160.48 19.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 p -62.52 -24.91 67.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.045 0.926 . . . . 25.0 110.364 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -70.74 -30.96 67.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.527 -0.761 . . . . 25.0 109.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.35 -13.9 45.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 25.0 110.445 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.12 -37.85 64.79 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 122.028 -0.42 . . . . 25.0 111.179 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.72 98.02 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.343 -0.932 . . . . 25.0 111.739 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.7 80.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.78 -0.247 . . . . 25.0 111.412 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 19' ' ' PHE . 64.5 t -61.95 -46.36 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 25.0 110.587 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.613 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -26.37 67.6 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -72.44 -11.4 60.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -5.71 43.16 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.518 0.675 . . . . 25.0 109.278 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.53 -4.64 43.58 Favored Glycine 0 N--CA 1.454 -0.14 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.185 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -140.49 137.07 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.33 0.565 . . . . 25.0 109.801 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.92 151.73 47.59 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.76 176.93 9.49 Favored 'Trans proline' 0 C--O 1.239 0.549 0 N-CA-C 108.636 -1.332 . . . . 25.0 108.636 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.32 144.75 53.43 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -65.37 -33.7 76.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.982 -0.448 . . . . 25.0 111.672 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -44.74 73.12 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.5 -37.06 84.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.543 0.687 . . . . 25.0 109.77 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.64 -43.45 98.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.45 -42.54 92.27 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.62 -0.432 . . . . 25.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -58.58 -44.51 89.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.0 0.429 . . . . 25.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.26 -34.82 79.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.821 0.343 . . . . 25.0 111.366 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -68.18 -41.98 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.15 -43.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 119.049 -0.501 . . . . 25.0 112.059 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.36 -43.08 88.25 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.098 0.863 . . . . 25.0 112.336 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.301 0.572 . . . . 25.0 112.135 -175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.49 -25.59 60.52 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.072 -1.018 . . . . 25.0 108.81 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.85 -33.01 68.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.07 -26.06 68.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 122.669 1.223 . . . . 25.0 108.518 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.03 83.62 Favored Glycine 0 CA--C 1.508 -0.365 0 CA-C-N 113.525 -1.67 . . . . 25.0 115.515 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -91.82 -29.07 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.52 37.07 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -131.73 152.39 50.95 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -129.11 121.52 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 160.24 23.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.02 -45.6 99.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.79 -30.97 58.68 Favored 'Trans proline' 0 C--N 1.355 0.911 1 C-N-CA 112.871 -4.286 . . . . 25.0 114.243 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -31.2 63.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.916 -0.49 . . . . 25.0 110.367 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.22 -42.91 99.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.28 -39.95 81.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.638 -0.664 . . . . 25.0 110.201 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -63.95 -42.16 97.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -67.99 -33.92 75.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.448 -0.782 . . . . 25.0 110.247 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 176.092 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.96 -43.59 98.52 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.328 0.967 . . . . 25.0 109.656 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -70.75 -41.83 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.605 0.717 . . . . 25.0 109.395 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.26 -38.34 78.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.37 -33.46 63.45 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.9 22.91 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.71 -31.18 13.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -64.13 -25.95 68.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -67.48 -19.93 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -119.79 6.58 10.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -73.09 132.36 43.21 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -61.79 -49.68 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -128.43 4.91 5.67 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.015 0.436 . . . . 25.0 110.717 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.38 32.56 27.86 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 107.933 -2.067 . . . . 25.0 107.933 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -66.37 -26.01 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.04 74.77 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.947 -0.861 . . . . 25.0 110.947 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -128.42 141.55 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.381 0.672 . . . . 25.0 109.307 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 pt -141.22 168.05 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 t -74.26 150.97 39.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.29 68.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.514 0.673 . . . . 25.0 110.559 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.11 74.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.582 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -35.46 37.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.89 -45.83 93.05 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.021 -0.99 . . . . 25.0 111.27 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.2 -43.63 94.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.825 -0.547 . . . . 25.0 110.851 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.87 -42.9 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.12 -35.59 80.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.5 m -62.53 -35.34 79.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.085 0.469 . . . . 25.0 110.117 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.07 -5.57 39.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 25.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.8 tp -131.17 44.2 2.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.99 -170.2 3.28 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 58.29 47.9 13.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.892 0.877 . . . . 25.0 111.999 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -125.53 129.93 50.72 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.7 mt 52.62 -147.76 0.45 Allowed 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.287 0.992 . . . . 25.0 109.317 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -118.87 160.54 21.75 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.911 -2.255 . . . . 25.0 104.911 171.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.58 -34.03 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.249 0.547 . . . . 25.0 110.031 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.22 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.858 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -76.88 -34.39 57.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 25.0 110.378 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.44 -33.78 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 25.0 110.536 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.7 -44.73 63.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.53 -35.85 70.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -70.84 -27.37 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.081 -0.387 . . . . 25.0 111.023 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.44 -42.41 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -60.72 -31.18 70.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.81 -27.9 58.1 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.005 0.431 . . . . 25.0 112.156 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.29 -31.59 13.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.95 122.15 15.3 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.61 103.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.48 -26.33 61.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.712 -1.131 . . . . 25.0 113.046 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.4 -38.77 95.29 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 115.523 0.969 . . . . 25.0 115.523 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -126.04 -8.02 6.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.451 1.649 . . . . 25.0 115.451 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.41 19.41 74.12 Favored Glycine 0 C--O 1.249 1.061 0 C-N-CA 121.357 -0.449 . . . . 25.0 113.113 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.92 169.11 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.124 0.487 . . . . 25.0 111.067 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.85 159.93 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -96.65 138.83 33.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.766 -2.679 . . . . 25.0 103.766 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -105.9 -8.25 17.77 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.1 -32.92 73.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.693 -0.855 . . . . 25.0 108.693 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -63.35 -39.36 94.34 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.8 -31.1 69.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.608 -0.683 . . . . 25.0 111.425 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.93 -46.86 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -61.31 -49.75 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.939 0.4 . . . . 25.0 110.264 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 ttm -63.58 -21.18 66.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -98.94 -28.3 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.538 0.498 0 CA-C-N 118.035 0.38 . . . . 25.0 111.181 179.52 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 120.522 0.201 . . . . 25.0 110.474 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.93 -36.72 64.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.62 -36.71 78.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.48 93.37 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.75 -42.91 89.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.047 0.385 . . . . 25.0 110.561 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -62.77 -40.13 96.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.0 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -70.11 -41.17 74.35 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.604 -0.438 . . . . 25.0 111.405 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -64.15 -44.24 92.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.65 78.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.088 0.471 . . . . 25.0 110.834 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.02 -48.57 57.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.145 0.498 . . . . 25.0 110.091 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 87.5 p -70.37 -14.74 62.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.28 -25.84 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.95 -26.29 8.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.591 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 59.7 t0 -79.73 82.06 5.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.686 0.755 . . . . 25.0 109.168 174.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -97.47 -1.79 43.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.264 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.47 -28.05 16.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.572 0.701 . . . . 25.0 110.247 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.79 9.37 61.19 Favored Glycine 0 C--O 1.23 -0.156 0 CA-C-N 115.344 -0.843 . . . . 25.0 114.803 173.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -73.11 -15.54 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.07 0.435 . . . . 25.0 111.736 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.74 16.77 65.03 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.7 p -132.75 165.05 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.382 0.611 . . . . 25.0 111.869 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -135.29 164.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 104.168 -2.531 . . . . 25.0 104.168 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.5 p -92.46 161.94 14.43 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 p -58.34 -30.67 66.92 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.557 0.694 . . . . 25.0 110.194 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -59.89 -35.08 74.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.919 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -97.12 -5.91 36.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -53.46 -46.37 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 25.0 110.96 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.28 91.87 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.696 -0.764 . . . . 25.0 112.154 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -33.24 66.78 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.123 -0.634 . . . . 25.0 112.016 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.04 -44.34 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.1 mtp -61.95 -41.06 97.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -57.41 -35.91 70.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.804 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.8 t -68.09 -22.6 64.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.14 6.65 48.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.524 0.678 . . . . 25.0 109.481 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 -4.74 82.72 Favored Glycine 0 CA--C 1.517 0.176 0 CA-C-N 115.883 -0.599 . . . . 25.0 114.305 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -91.15 127.07 36.43 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.03 -0.688 . . . . 25.0 109.731 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.84 114.21 56.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 105.39 -2.078 . . . . 25.0 105.39 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.2 153.15 45.87 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 115.723 -2.384 . . . . 25.0 112.511 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -71.99 165.5 24.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.601 -1.629 . . . . 25.0 106.601 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -33.81 76.75 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.61 70.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.19 -41.9 89.62 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.082 0.468 . . . . 25.0 110.72 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.66 -42.89 99.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.089 -0.505 . . . . 25.0 109.891 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.66 -44.4 74.16 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.05 -0.26 . . . . 25.0 110.611 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.49 -44.52 84.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.3 -32.69 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.896 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.86 -39.31 77.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 119.236 -0.411 . . . . 25.0 110.463 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.09 -37.75 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.745 0.702 . . . . 25.0 111.83 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -58.3 -38.38 76.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.663 . . . . 25.0 111.064 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -88.34 -25.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.229 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.95 -32.33 73.5 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -34.59 78.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.959 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.47 -26.51 51.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.716 1.246 . . . . 25.0 110.391 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 5.15 62.35 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -88.45 -25.94 22.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.644 1.222 . . . . 25.0 111.349 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.77 84.5 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 120.84 -0.695 . . . . 25.0 114.76 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.7 p -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.015 0.407 . . . . 25.0 110.846 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.6 mt -134.26 123.39 43.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.586 -1.265 . . . . 25.0 107.586 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.53 163.35 21.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.943 0.402 . . . . 25.0 110.066 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.17 -46.96 99.63 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -66.33 -31.0 44.43 Favored 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 112.816 -4.323 . . . . 25.0 114.129 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.56 -28.65 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.609 -0.682 . . . . 25.0 110.702 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.31 -45.77 92.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.24 -41.5 89.94 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 122.103 -0.373 . . . . 25.0 111.004 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -67.96 -42.93 80.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.2 ttp -63.48 -40.43 97.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.637 -0.664 . . . . 25.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 C--N 1.327 -0.38 0 O-C-N 121.989 -0.444 . . . . 25.0 110.493 178.371 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 119.999 -0.048 . . . . 25.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.35 -38.99 92.98 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.35 -39.37 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.227 -0.442 . . . . 25.0 109.919 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.34 -35.08 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 111.549 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.2 59.8 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.563 0.22 . . . . 25.0 111.536 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -95.96 -30.94 13.33 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -64.25 -27.32 68.97 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -68.05 -13.82 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.832 -0.543 . . . . 25.0 111.611 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.44 -2.06 29.48 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.18 85.54 7.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.827 0.822 . . . . 25.0 109.02 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.64 71.66 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.49 -7.38 22.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -173.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.86 29.65 64.82 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -112.68 1.79 15.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -175.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.67 1.23 90.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 116.379 1.312 . . . . 25.0 116.379 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -104.39 137.69 41.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.469 1.135 . . . . 25.0 113.664 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.7 pt -136.98 162.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.4 t -79.65 151.74 30.38 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.245 -0.91 . . . . 25.0 109.021 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.63 69.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.72 83.77 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 110.313 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -76.14 -32.4 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 141' ' ' PHE . 58.7 tp -62.38 -47.79 82.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -64.74 -30.08 71.08 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.987 -0.445 . . . . 25.0 110.955 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.88 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -44.46 96.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.8 t -71.21 -26.71 63.06 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.583 -0.698 . . . . 25.0 110.49 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -72.31 -31.62 65.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.976 -0.452 . . . . 25.0 110.662 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.72 -19.01 61.47 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.94 114.66 2.12 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.393 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.13 87.24 0.77 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.58 0.705 . . . . 25.0 109.526 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -123.43 1.06 8.95 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.936 -0.575 . . . . 25.0 112.503 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.9 167.5 16.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 -174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.19 148.89 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.306 0.379 . . . . 25.0 110.245 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.23 -47.19 87.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 25.0 110.095 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.43 -32.58 71.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.851 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -62.8 -29.35 70.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.732 0.813 . . . . 25.0 111.375 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.84 -42.58 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.933 0.873 . . . . 25.0 109.618 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -64.23 -32.06 73.5 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -174.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.42 -28.8 67.27 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.443 0.535 . . . . 25.0 112.443 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.0 mtm -76.67 -36.57 57.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.699 0.762 . . . . 25.0 109.375 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.72 -27.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.11 64.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.8 -27.65 17.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.438 0.637 . . . . 25.0 110.739 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.27 90.22 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -151.49 -179.38 7.34 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.622 1.712 . . . . 25.0 115.622 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.41 136.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.932 -1.031 . . . . 25.0 109.225 -176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.24 -24.04 6.65 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.83 -22.08 58.47 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-O 119.611 -0.549 . . . . 25.0 114.062 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -106.81 -28.69 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.425 0.612 . . . . 25.0 111.963 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.65 16.08 28.61 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 118.702 2.241 . . . . 25.0 118.702 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.73 137.16 52.88 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.136 1.468 . . . . 25.0 112.543 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.11 160.42 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -103.43 129.22 50.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 104.627 -2.36 . . . . 25.0 104.627 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -77.89 -24.01 48.58 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -172.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.76 -39.57 91.18 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.022 -0.424 . . . . 25.0 111.753 -176.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -84.22 -27.67 27.81 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.726 -0.608 . . . . 25.0 110.024 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.402 ' CE2' HD21 ' A' ' 105' ' ' LEU . 28.7 t80 -71.86 -36.41 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.938 -0.705 . . . . 25.0 111.502 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.02 -26.02 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.261 -1.014 . . . . 25.0 108.261 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -76.16 -40.72 51.85 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.7 ttm -58.22 -48.38 80.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.473 0.309 . . . . 25.0 111.199 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.21 -4.25 13.36 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.534 0.36 0 O-C-N 121.784 -0.572 . . . . 25.0 111.808 178.804 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 C--O 1.223 -0.31 0 CA-C-O 120.638 0.256 . . . . 25.0 111.39 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.17 -24.99 57.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.598 -0.841 . . . . 25.0 110.637 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.99 -34.05 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.35 87.17 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.978 -0.451 . . . . 25.0 109.835 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.53 -43.02 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.011 0.369 . . . . 25.0 110.259 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.38 -44.0 79.79 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.95 -45.09 83.04 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.923 -0.58 . . . . 25.0 112.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -77.94 -34.27 51.27 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.847 -0.533 . . . . 25.0 112.376 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.66 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -71.5 -45.89 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.358 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -64.97 -20.68 66.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.15 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.71 -22.45 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -116.92 -2.16 11.84 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.51 98.35 6.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -69.8 -27.0 64.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -109.77 -27.82 9.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.84 14.56 39.62 Favored Glycine 0 C--O 1.228 -0.231 0 N-CA-C 111.988 -0.445 . . . . 25.0 111.988 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -80.48 -7.23 59.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.895 0.378 . . . . 25.0 111.717 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.87 22.22 50.3 Favored Glycine 0 C--O 1.241 0.554 0 C-N-CA 121.301 -0.476 . . . . 25.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -131.56 162.85 29.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.462 0.649 . . . . 25.0 112.384 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -134.09 167.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.3 p -88.47 167.48 13.41 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.545 -0.862 . . . . 25.0 108.676 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 p -58.48 -31.79 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.204 0.526 . . . . 25.0 110.886 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -65.87 -39.71 90.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.727 0.775 . . . . 25.0 110.619 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.56 -8.79 58.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.014 -0.994 . . . . 25.0 112.848 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.98 -46.4 71.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.073 0.463 . . . . 25.0 111.173 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -36.88 91.28 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.668 -0.777 . . . . 25.0 112.551 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -38.67 82.89 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.429 -0.453 . . . . 25.0 112.021 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.64 -45.18 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 mtt -60.57 -43.16 97.59 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.232 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.31 -26.2 65.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -72.28 -22.19 61.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.812 0.339 . . . . 25.0 110.585 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.7 4.04 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 25.0 109.808 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.88 1.28 90.21 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.258 -0.496 . . . . 25.0 112.644 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -84.95 135.23 34.13 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -106.29 92.29 6.66 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 121.074 0.464 . . . . 25.0 110.856 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.19 162.58 33.89 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 116.863 -1.624 . . . . 25.0 109.312 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 p -84.53 158.64 20.89 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.569 -1.641 . . . . 25.0 106.569 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.61 -30.36 69.07 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.51 -0.744 . . . . 25.0 110.435 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.97 84.06 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.027 0.441 . . . . 25.0 110.334 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.32 -46.43 89.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.05 -42.42 89.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.35 -53.05 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.512 0.196 . . . . 25.0 111.225 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.51 -35.99 78.26 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.653 -0.419 . . . . 25.0 111.817 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 mtt -64.71 -34.72 78.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 25.0 110.118 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -70.82 -38.97 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.07 -37.78 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 117.917 0.326 . . . . 25.0 110.54 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.8 -38.31 87.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.629 -0.669 . . . . 25.0 111.289 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.95 -33.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 25.0 110.245 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.76 -28.89 67.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 25.0 110.271 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.81 78.87 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.762 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.93 -25.28 40.55 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 122.104 0.954 . . . . 25.0 108.59 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.23 82.11 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.223 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -71.1 -28.74 64.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.191 0.52 . . . . 25.0 112.398 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.96 -9.61 1.43 Allowed Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.538 1.375 . . . . 25.0 116.538 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -132.75 165.79 23.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.694 0.747 . . . . 25.0 110.795 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.6 125.02 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.75 168.67 18.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.45 0.643 . . . . 25.0 111.016 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.08 -47.78 96.08 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 114.302 1.223 . . . . 25.0 114.302 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.93 -25.4 44.93 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 113.069 -4.154 . . . . 25.0 113.605 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.52 -31.4 63.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.863 -0.523 . . . . 25.0 109.846 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.16 -41.88 99.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.69 -33.64 76.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 mmt -62.86 -37.76 88.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.63 -0.669 . . . . 25.0 109.779 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.8 mmt . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.983 0.421 . . . . 25.0 110.877 178.062 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.223 -0.334 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.98 -41.4 96.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.78 -38.94 83.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.16 -40.87 94.92 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.764 -0.585 . . . . 25.0 109.956 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.87 -39.35 90.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 25.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.48 81.25 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.819 0.342 . . . . 25.0 111.087 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.26 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.57 -19.37 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -104.9 9.72 34.58 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.988 0.423 . . . . 25.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -75.73 114.06 13.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.382 . . . . 25.0 110.169 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' HE22 ' A' ' 135' ' ' GLN . 1.5 ttpt -68.92 -44.7 72.55 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -114.56 0.43 13.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -174.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.49 58.42 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 107.796 -2.122 . . . . 25.0 107.796 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -119.07 9.8 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.38 0.672 . . . . 25.0 112.673 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.05 7.59 85.17 Favored Glycine 0 C--O 1.235 0.181 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.05 132.25 49.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.311 1.055 . . . . 25.0 112.406 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 pt -125.32 157.16 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -71.86 150.88 43.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.518 -0.738 . . . . 25.0 110.104 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.84 77.61 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.107 0.479 . . . . 25.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -75.82 -35.78 59.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.62 -41.92 99.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -61.0 -39.15 88.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.66 -49.72 74.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.82 -39.06 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 117.971 0.351 . . . . 25.0 110.087 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -59.45 -41.01 88.65 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.92 -0.488 . . . . 25.0 110.788 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -69.71 -30.56 68.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.851 0.834 . . . . 25.0 110.303 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -21.6 61.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.985 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -1.49 14.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.42 -174.41 44.65 Favored Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.65 -0.786 . . . . 25.0 112.85 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.45 148.08 45.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -134.21 151.11 51.15 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.64 -36.58 60.14 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.259 0.349 . . . . 25.0 111.933 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.87 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.506 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.51 62.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -28.57 69.61 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.324 -0.853 . . . . 25.0 109.853 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.5 -25.6 65.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.681 0.753 . . . . 25.0 110.326 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.84 -42.52 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.6 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -61.06 -30.11 70.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.033 0.444 . . . . 25.0 111.423 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.8 ttp -76.53 -39.24 53.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.98 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.17 -40.38 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.128 -0.358 . . . . 25.0 110.956 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -64.67 -10.63 28.33 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.867 1.802 . . . . 25.0 115.867 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.73 -31.39 63.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.334 0.587 . . . . 25.0 109.577 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.62 157.65 20.3 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.436 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.98 140.72 56.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -124.62 130.68 73.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.38 163.15 28.47 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 123.556 0.742 . . . . 25.0 111.407 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.17 66.4 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 114.841 0.696 . . . . 25.0 114.841 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -80.28 7.06 10.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.108 0.954 . . . . 25.0 110.846 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 35.01 42.37 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 110.659 -0.976 . . . . 25.0 110.659 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.493 HE22 ' HB2' ' A' ' 94' ' ' LYS . 32.0 mt-30 -116.25 155.75 27.79 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.23 153.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 130.42 35.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -82.99 -26.0 31.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.438 1.644 . . . . 25.0 115.438 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -70.83 -37.22 73.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.331 0.969 . . . . 25.0 111.611 -175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -74.42 -33.81 63.07 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -42.43 79.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.84 -35.89 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.494 -0.754 . . . . 25.0 111.539 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -73.39 -29.3 62.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.705 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.1 ttp -63.97 -30.91 71.95 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.892 -0.505 . . . . 25.0 110.212 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.3 mtt -63.29 -18.42 63.58 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.76 0.314 . . . . 25.0 111.785 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -177.031 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 121.525 0.679 . . . . 25.0 109.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.64 -30.14 68.79 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.126 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.4 -37.29 77.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.01 90.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.03 -42.42 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.897 0.38 . . . . 25.0 110.609 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.02 -36.99 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -65.26 -43.6 90.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.98 -43.22 93.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.5 87.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.053 0.454 . . . . 25.0 111.724 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.291 0.567 . . . . 25.0 109.579 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -63.42 -20.39 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.52 -24.78 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.54 -1.56 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.0 1.111 . . . . 25.0 114.0 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -72.42 104.79 3.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.106 -1.813 . . . . 25.0 106.106 172.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -68.19 -33.99 75.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -116.44 -25.21 7.55 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 115.835 1.791 . . . . 25.0 115.835 -169.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 12.14 33.96 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.494 -0.643 . . . . 25.0 111.494 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.23 -7.85 59.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.963 0.411 . . . . 25.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.55 27.78 46.07 Favored Glycine 0 C--O 1.235 0.201 0 C-N-CA 121.085 -0.579 . . . . 25.0 112.289 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -131.55 158.47 40.88 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -137.06 175.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -98.79 163.84 12.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 p -56.11 -42.55 77.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.423 0.63 . . . . 25.0 110.691 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -63.72 -37.5 87.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.068 0.461 . . . . 25.0 111.826 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -75.45 -6.89 52.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.12 -40.44 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.457 0.646 . . . . 25.0 109.721 174.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.07 -33.1 86.33 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 111.419 -0.672 . . . . 25.0 111.419 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -37.63 73.46 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.241 -0.564 . . . . 25.0 111.253 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.97 -47.49 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.5 mmm -58.22 -44.36 88.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.406 0.622 . . . . 25.0 109.85 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.07 -37.18 71.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.687 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -73.84 -22.46 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.623 -0.431 . . . . 25.0 112.117 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.02 -4.6 50.89 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.71 -4.73 36.84 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 116.313 1.285 . . . . 25.0 116.313 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -133.31 123.13 24.9 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.558 1.179 . . . . 25.0 110.015 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -103.08 124.5 38.22 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 107.79 -1.189 . . . . 25.0 107.79 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.85 161.25 36.5 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.582 -1.145 . . . . 25.0 110.508 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -73.85 165.38 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -57.01 -33.49 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 25.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.05 57.48 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.503 -0.317 . . . . 25.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.31 -35.44 80.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 25.0 109.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.6 -48.8 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.48 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -63.87 -37.74 88.52 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.163 -0.215 . . . . 25.0 111.154 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.51 -39.32 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.834 0.35 . . . . 25.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.1 mtt -72.62 -37.62 68.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 25.0 111.052 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.52 -31.82 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.84 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.32 -35.24 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.971 -0.456 . . . . 25.0 112.189 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.66 -28.24 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.569 -0.707 . . . . 25.0 111.139 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.67 -31.06 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.605 0.716 . . . . 25.0 110.676 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.5 -14.1 47.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.694 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.14 74.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.422 -0.354 . . . . 25.0 110.681 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -95.74 -26.96 15.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.929 0.871 . . . . 25.0 109.188 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.98 84.47 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.246 -0.888 . . . . 25.0 115.045 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -66.94 -25.97 66.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 117.686 0.743 . . . . 25.0 112.393 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.28 10.81 82.06 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 121.708 -0.282 . . . . 25.0 113.461 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.7 p -131.3 156.79 44.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.082 0.441 . . . . 25.0 110.779 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -135.75 122.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -83.26 174.27 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.106 0.955 . . . . 25.0 108.912 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.1 -48.73 87.54 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.69 -23.95 35.63 Favored 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 112.713 -4.391 . . . . 25.0 113.704 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -70.81 -37.93 73.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -59.77 -44.64 93.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.88 -37.16 83.87 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.119 -0.363 . . . . 25.0 110.672 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -64.6 -39.3 93.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 ttm -64.33 -38.97 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.904 0.383 . . . . 25.0 110.892 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 121.815 0.817 . . . . 25.0 109.991 177.317 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 CA--C 1.528 0.11 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.74 -39.37 91.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.24 -42.29 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 121.751 -0.593 . . . . 25.0 109.536 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -68.83 -39.6 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.193 -0.317 . . . . 25.0 111.13 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -75.76 -25.53 56.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.93 77.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.548 -0.72 . . . . 25.0 111.234 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -69.09 -28.42 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.284 0.564 . . . . 25.0 110.059 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -77.55 -10.38 59.46 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.41 -23.54 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -98.46 -4.99 33.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.048 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -74.98 151.21 38.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -49.91 4.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -174.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -128.94 10.95 6.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.12 0.486 . . . . 25.0 111.658 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.88 21.47 36.19 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 108.155 -1.978 . . . . 25.0 108.155 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.65 -5.78 39.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.94 -3.25 85.92 Favored Glycine 0 N--CA 1.462 0.388 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -138.89 159.54 41.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.638 0.719 . . . . 25.0 110.913 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -135.76 164.61 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 m -78.98 154.3 29.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.97 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.946 0.403 . . . . 25.0 110.876 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.08 95.53 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 109.809 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.46 -38.45 71.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.467 HD22 HG21 ' A' ' 136' ' ' VAL . 54.1 tp -60.4 -41.64 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -38.9 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -65.89 -48.45 71.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.345 -0.242 . . . . 25.0 110.345 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.96 -42.69 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.947 0.403 . . . . 25.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.4 mtt -63.24 -33.44 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.73 -0.606 . . . . 25.0 111.157 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.9 m -73.5 -35.46 65.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.91 -36.49 82.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.22 -34.39 78.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.394 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.37 146.44 5.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.667 -0.777 . . . . 25.0 113.425 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.88 159.39 32.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -134.75 156.87 48.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.66 -40.22 17.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -118.88 164.74 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.451 0.643 . . . . 25.0 109.854 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.68 -24.38 41.8 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.33 -35.08 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.3 -28.28 69.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.834 0.35 . . . . 25.0 111.434 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.67 -43.38 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -29.75 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.16 -38.18 79.12 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 110.186 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtm -79.3 -27.83 42.2 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.068 -0.395 . . . . 25.0 111.038 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.95 -36.83 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -61.91 -34.52 76.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.383 -0.372 . . . . 25.0 111.289 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -83.04 -24.15 32.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 165.22 8.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.099 -0.955 . . . . 25.0 112.652 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -79.52 47.61 0.84 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.115 0.966 . . . . 25.0 112.727 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.0 pt -70.09 158.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.181 0.991 . . . . 25.0 113.513 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -149.69 178.12 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 104.138 -2.541 . . . . 25.0 104.138 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.4 -26.82 57.31 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 116.057 1.183 . . . . 25.0 116.057 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.98 -5.48 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.559 0.679 . . . . 25.0 112.256 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.54 38.89 86.93 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.781 -0.723 . . . . 25.0 114.142 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -118.03 153.62 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.467 HG21 HD22 ' A' ' 105' ' ' LEU . 13.5 m -145.03 150.65 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.639 0.776 . . . . 25.0 109.057 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.95 145.53 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -93.55 -23.51 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.66 -44.3 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -173.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.14 -32.71 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.942 0.401 . . . . 25.0 109.996 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -69.37 -40.25 77.56 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.06 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.27 -47.1 93.72 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.69 -39.7 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.428 0.291 . . . . 25.0 110.977 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.08 -39.68 93.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.905 0.383 . . . . 25.0 111.799 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.5 mtt -82.31 -33.45 28.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.0 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -179.452 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 121.309 0.576 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -73.54 -30.38 63.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.105 -0.372 . . . . 25.0 110.346 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.44 -37.19 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.893 -0.505 . . . . 25.0 109.792 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.77 -39.92 93.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.97 0.35 . . . . 25.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.826 -0.546 . . . . 25.0 110.518 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.39 99.62 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.305 0.642 . . . . 25.0 110.797 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.29 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.874 0.368 . . . . 25.0 111.154 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.77 -45.56 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.631 0.729 . . . . 25.0 110.223 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -68.45 -22.06 64.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.523 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -25.64 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.75 0.278 . . . . 25.0 111.75 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -109.45 -4.45 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.52 104.13 8.93 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -69.36 -21.65 63.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.23 -27.74 4.82 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 -173.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 13.79 39.32 Favored Glycine 0 C--N 1.322 -0.248 0 C-N-CA 121.518 -0.373 . . . . 25.0 113.291 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.86 -11.74 59.86 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.948 0.404 . . . . 25.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.5 27.84 21.25 Favored Glycine 0 C--O 1.235 0.175 0 C-N-CA 121.445 -0.407 . . . . 25.0 113.409 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -134.59 149.89 50.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.81 173.42 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 51.7 p -94.96 160.02 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -61.4 -30.48 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.676 0.751 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -73.42 -31.35 63.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.232 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.13 -12.68 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.607 -0.269 . . . . 25.0 111.236 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.29 -39.47 69.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.926 0.393 . . . . 25.0 109.97 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.23 -42.28 99.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.495 -0.859 . . . . 25.0 111.732 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -41.83 67.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.464 -0.433 . . . . 25.0 111.674 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.25 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -62.42 -22.68 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -64.57 -23.89 67.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.186 -0.321 . . . . 25.0 111.11 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.91 4.88 35.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.189 0.518 . . . . 25.0 110.768 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 5.8 82.72 Favored Glycine 0 C--O 1.229 -0.217 0 C-N-CA 121.425 -0.417 . . . . 25.0 113.917 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -130.29 130.91 45.11 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -135.77 148.18 64.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -77.48 174.12 13.18 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 110.104 -0.768 . . . . 25.0 110.104 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -71.21 163.89 26.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.33 61.02 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.57 -33.19 74.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.266 0.555 . . . . 25.0 110.271 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.95 -41.61 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -68.22 -39.4 82.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -42.71 95.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.341 0.591 . . . . 25.0 109.902 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mtt -64.75 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.877 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.64 -43.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.11 -39.62 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 122.126 0.17 . . . . 25.0 111.284 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.41 -31.36 44.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -14.79 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -19.23 65.77 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.21 -0.931 . . . . 25.0 110.67 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.28 -24.96 61.18 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.2 -21.64 66.64 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.29 1.043 . . . . 25.0 111.869 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.71 5.98 88.38 Favored Glycine 0 C--O 1.229 -0.168 0 CA-C-N 113.649 -1.614 . . . . 25.0 112.555 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -105.3 -27.93 11.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.44 87.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.762 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 23.7 p -120.88 159.06 26.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.599 0.36 . . . . 25.0 111.071 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.92 119.93 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 104.401 -2.444 . . . . 25.0 104.401 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.64 173.92 8.74 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.16 -42.94 84.2 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.06 -26.94 50.2 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 112.805 -4.33 . . . . 25.0 114.108 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.59 -35.08 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.187 0.994 . . . . 25.0 109.055 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.14 -39.76 90.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.19 -38.31 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -67.07 -24.46 65.97 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.951 0.796 . . . . 25.0 111.01 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttm -63.62 -27.32 69.15 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.626 -0.672 . . . . 25.0 109.191 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 177.764 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 117.308 2.336 . . . . 25.0 117.308 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.43 -38.33 80.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.484 1.038 . . . . 25.0 111.337 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.57 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.447 0.641 . . . . 25.0 109.723 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -73.29 -35.99 66.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 25.0 110.856 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -28.08 69.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.646 0.378 . . . . 25.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.96 72.0 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.754 -0.591 . . . . 25.0 111.669 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.99 -23.07 28.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.11 0.481 . . . . 25.0 110.593 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -67.63 -15.24 63.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.424 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.1 -25.4 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -104.38 4.42 33.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.61 129.16 39.73 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.091 0.472 . . . . 25.0 110.414 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -72.03 -42.92 65.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -128.83 -5.18 5.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.69 5.05 63.3 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.465 -0.398 . . . . 25.0 112.641 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -96.13 11.8 33.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.417 0.609 . . . . 25.0 112.293 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.87 16.09 56.87 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.855 -0.688 . . . . 25.0 114.345 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.27 142.69 50.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 pt -135.62 164.23 33.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 N-CA-C 104.89 -2.263 . . . . 25.0 104.89 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 p -81.83 162.95 22.65 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 120.759 -1.213 . . . . 25.0 108.363 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.15 68.72 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.545 0.688 . . . . 25.0 109.289 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.53 80.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.08 -35.71 78.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.4 tp -58.58 -47.74 83.28 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -67.56 -35.98 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 119.832 -0.747 . . . . 25.0 110.447 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.22 -49.5 76.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.85 0.295 . . . . 25.0 110.216 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.3 -45.79 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ttm -61.32 -41.92 97.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 115' ' ' LYS . 6.9 t -78.08 -24.6 47.56 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.611 -0.681 . . . . 25.0 110.605 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.17 -31.77 66.25 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.1 -0.375 . . . . 25.0 110.721 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.5 -32.56 12.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.97 12.38 10.73 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.975 1.55 . . . . 25.0 116.975 -176.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.02 46.05 19.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' H ' ' HA ' ' A' ' 110' ' ' THR . 71.3 mmtt -55.97 115.94 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.59 -42.62 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -118.87 156.62 29.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -67.63 -37.77 82.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.34 -30.8 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.57 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.73 -28.7 67.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.473 0.654 . . . . 25.0 111.044 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.01 -41.5 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 25.0 109.671 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.69 -44.16 77.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.01 -36.24 67.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 25.0 112.177 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 47.2 ttp -73.39 -38.68 65.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 25.0 110.677 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.27 -35.29 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.222 -0.445 . . . . 25.0 109.9 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -55.37 -32.01 62.23 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.94 -36.49 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.75 -19.52 35.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -136.94 163.96 29.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -174.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.3 21.15 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.14 99.74 0.1 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.48 -0.23 76.53 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 115.295 0.878 . . . . 25.0 115.295 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -106.69 -24.56 12.08 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.234 1.017 . . . . 25.0 112.236 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.3 45.89 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.866 -0.607 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -117.79 130.57 56.38 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.302 0.551 . . . . 25.0 111.645 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.63 160.61 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.764 0.426 . . . . 25.0 109.979 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -96.41 152.41 18.63 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.979 -1.859 . . . . 25.0 105.979 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -104.35 -5.98 21.24 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.5 -48.92 70.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.59 0.71 . . . . 25.0 110.498 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -68.89 -31.88 71.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.572 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -31.72 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.325 -0.55 . . . . 25.0 111.704 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.82 -46.57 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 122.071 -0.393 . . . . 25.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -31.82 70.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.3 ttp -70.07 -29.34 66.3 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.852 -0.53 . . . . 25.0 111.944 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.8 mtt -79.19 -4.18 49.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.364 0.875 . . . . 25.0 113.364 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 178.241 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 110.55 -0.166 . . . . 25.0 110.55 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.71 -36.83 73.43 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.93 -37.1 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.12 93.62 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.277 -0.264 . . . . 25.0 110.947 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.01 -45.27 93.31 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.32 -40.21 95.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 25.0 109.828 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 4.1 tmtt? -61.74 -44.56 96.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.618 0.229 . . . . 25.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -68.74 -39.21 80.47 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.895 -0.722 . . . . 25.0 111.017 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.02 79.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 25.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.62 -46.39 66.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.534 0.683 . . . . 25.0 109.312 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 23.0 t -66.99 -17.1 64.77 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.66 -32.34 71.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.167 0.508 . . . . 25.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -105.62 -12.2 16.04 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -81.71 81.83 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.402 1.096 . . . . 25.0 108.075 175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.92 -9.51 58.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.717 -1.129 . . . . 25.0 113.093 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -108.7 -27.45 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.57 16.56 42.26 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.619 -0.719 . . . . 25.0 112.039 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.14 -16.88 59.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.87 0.366 . . . . 25.0 111.814 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 17.17 73.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 121.257 -0.497 . . . . 25.0 112.173 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.5 p -132.7 165.16 25.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 25.0 111.39 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 pt -135.42 166.81 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 104.924 -2.25 . . . . 25.0 104.924 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -86.1 161.7 18.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 p -58.51 -38.47 77.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.403 0.621 . . . . 25.0 110.005 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.12 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.993 0.425 . . . . 25.0 111.616 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.91 -7.81 59.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.79 -41.69 70.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.503 0.668 . . . . 25.0 109.93 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.34 -37.87 93.17 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.266 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.16 -0.612 . . . . 25.0 111.84 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.66 -47.63 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.58 -43.0 99.67 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 25.0 110.363 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -56.12 -36.16 67.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.72 0.295 . . . . 25.0 111.022 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -71.54 -22.11 61.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.56 0.49 56.29 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.44 -1.24 88.47 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 111.521 -0.631 . . . . 25.0 111.521 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.12 123.64 30.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.43 92.26 47.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.76 164.67 33.14 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 117.318 -1.321 . . . . 25.0 109.801 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.08 158.92 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.07 -33.22 72.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.77 76.96 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.277 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.64 -39.64 92.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.931 0.395 . . . . 25.0 110.471 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.41 -43.12 95.4 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.02 -49.35 76.4 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -58.42 -43.43 88.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.993 0.425 . . . . 25.0 111.697 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.1 -34.37 76.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.035 -0.416 . . . . 25.0 111.604 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.36 -43.2 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.695 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.31 -38.95 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -57.56 -30.41 65.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.93 -36.98 6.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.208 0.528 . . . . 25.0 111.107 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -25.73 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.138 -0.351 . . . . 25.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.28 79.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.639 0.257 . . . . 25.0 111.336 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.04 -19.23 51.92 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.34 7.23 76.74 Favored Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.88 1.112 . . . . 25.0 115.88 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.66 -28.22 64.63 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.269 1.035 . . . . 25.0 111.955 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.28 -3.81 3.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 116.969 1.548 . . . . 25.0 116.969 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.1 p -129.53 159.52 36.08 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.819 0.809 . . . . 25.0 110.628 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -133.04 126.25 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.042 -1.836 . . . . 25.0 106.042 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -82.61 173.57 11.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.01 0.909 . . . . 25.0 109.719 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.25 -46.43 61.27 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -66.16 -24.72 51.28 Favored 'Trans proline' 0 C--N 1.355 0.883 1 C-N-CA 112.183 -4.745 . . . . 25.0 113.47 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -69.88 -36.23 75.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.893 -0.504 . . . . 25.0 110.331 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -55.93 -38.96 70.98 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.341 0.591 . . . . 25.0 109.765 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -77.76 -36.1 50.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.624 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 m -64.27 -34.91 79.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.425 0.29 . . . . 25.0 111.307 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.8 mtt -58.3 -28.4 64.98 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.951 -0.468 . . . . 25.0 112.059 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.1 mtt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 122.12 -0.362 . . . . 25.0 111.115 -179.4 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 CA--C 1.499 -0.99 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.1 -20.21 65.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.455 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.45 -45.76 77.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -69.72 -34.77 74.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -61.04 -33.45 73.31 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.903 0.382 . . . . 25.0 111.278 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.31 70.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.804 0.335 . . . . 25.0 111.572 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.04 -30.68 19.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.326 0.584 . . . . 25.0 109.855 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -63.57 -19.66 65.0 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.37 0.668 . . . . 25.0 112.478 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.4 -18.66 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 121.897 -0.502 . . . . 25.0 110.92 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -97.26 -10.9 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.831 -0.543 . . . . 25.0 112.372 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -86.55 89.37 7.89 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -69.99 -25.63 63.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.16 -6.9 14.52 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 -175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.22 30.08 38.8 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.32 -22.94 60.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 0.72 74.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -138.93 155.19 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.414 -0.462 . . . . 25.0 111.201 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -139.12 169.38 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -71.25 147.56 48.07 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.56 -26.0 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.82 84.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.267 0.556 . . . . 25.0 109.706 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.3 -36.92 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.21 -43.29 96.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -62.94 -38.41 90.93 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.365 -0.21 . . . . 25.0 110.44 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.68 -45.61 93.26 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.634 -0.426 . . . . 25.0 110.746 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.44 -40.57 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.0 mtt -57.85 -48.36 80.03 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.208 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -67.42 -38.59 84.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.889 0.376 . . . . 25.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.91 -43.32 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.439 0.638 . . . . 25.0 109.422 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -90.43 31.77 1.0 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.882 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.02 122.54 2.51 Favored Glycine 0 CA--C 1.517 0.187 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.52 175.35 5.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.251 0.548 . . . . 25.0 110.914 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -136.09 173.52 11.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 104.975 -2.232 . . . . 25.0 104.975 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -58.77 3.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.458 0.572 . . . . 25.0 110.091 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.5 p -118.41 161.64 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.73 -23.08 66.67 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.7 -35.49 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.315 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -69.49 -23.02 63.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.068 0.461 . . . . 25.0 110.884 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.16 -42.81 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.96 -38.25 85.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.72 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.31 -43.85 33.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.135 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -70.48 -39.78 74.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.58 0.705 . . . . 25.0 111.225 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.42 -36.98 74.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.779 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 124.028 0.931 . . . . 25.0 113.227 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -15.37 59.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -177.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.83 148.11 24.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -77.85 82.41 4.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 mm -76.88 116.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.75 168.18 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.03 58.17 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 115.34 0.896 . . . . 25.0 115.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 25.0 110.649 177.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.75 23.3 76.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.152 -0.546 . . . . 25.0 113.408 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -117.62 147.37 42.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.61 148.04 23.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.019 0.438 . . . . 25.0 111.797 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -78.14 100.13 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -68.17 -33.37 74.34 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -170.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.3 -42.86 99.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.664 1.12 . . . . 25.0 112.708 -174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -67.17 -35.44 79.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.81 -38.37 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.977 0.418 . . . . 25.0 110.984 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.44 -43.08 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -61.17 -44.69 96.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.9 ttm -61.06 -41.5 96.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.4 ptp -79.03 -26.52 43.19 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.075 -0.65 . . . . 25.0 110.979 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 122.548 1.166 . . . . 25.0 108.724 176.563 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.392 0 CA-C-O 118.36 -0.829 . . . . 25.0 109.199 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.16 -16.48 52.81 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 119.574 1.079 . . . . 25.0 112.412 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -73.64 -22.42 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -160.43 144.78 14.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -83.55 157.76 22.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.315 0.578 . . . . 25.0 109.565 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -62.22 -21.13 64.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.304 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -64.83 -35.48 81.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.194 0.521 . . . . 25.0 110.616 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.73 -35.7 67.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.9 -32.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.46 84.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.55 -38.95 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.983 0.356 . . . . 25.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -60.11 -36.54 77.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.855 -0.528 . . . . 25.0 109.867 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -73.74 -44.0 57.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.657 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.48 -42.2 92.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.196 0.453 . . . . 25.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.35 80.22 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 122.249 -0.282 . . . . 25.0 111.094 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -72.68 -46.36 54.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.337 0.589 . . . . 25.0 109.867 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 t -64.42 -21.96 66.81 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.226 -0.443 . . . . 25.0 112.131 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.92 -23.5 65.3 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.46 0.304 . . . . 25.0 111.622 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.51 -2.07 11.57 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -78.22 76.81 4.73 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.292 1.044 . . . . 25.0 108.46 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -67.28 -37.89 84.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.755 -1.112 . . . . 25.0 113.696 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.46 -25.23 39.01 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.06 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.64 15.72 70.14 Favored Glycine 0 CA--C 1.516 0.139 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.656 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -93.89 2.14 56.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.331 0.586 . . . . 25.0 110.067 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.8 28.14 43.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.494 -0.86 . . . . 25.0 111.749 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -130.0 158.93 38.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.594 0.591 . . . . 25.0 112.594 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.6 pt -135.27 169.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 104.797 -2.297 . . . . 25.0 104.797 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 p -85.17 160.59 19.88 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -57.34 -35.59 70.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.786 0.327 . . . . 25.0 111.797 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.98 -22.55 45.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -12.26 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.273 -0.267 . . . . 25.0 110.953 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.75 -41.44 73.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.158 0.504 . . . . 25.0 110.981 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -36.87 92.75 Favored Glycine 0 C--O 1.225 -0.433 0 C-N-CA 120.751 -0.738 . . . . 25.0 111.401 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -37.04 76.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.189 -0.595 . . . . 25.0 111.8 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.86 -45.82 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 ttm -63.6 -39.77 95.23 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.249 0.547 . . . . 25.0 110.54 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -63.76 -32.09 73.48 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.428 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -69.3 -22.89 63.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 110.21 -0.293 . . . . 25.0 110.21 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -89.35 0.65 56.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 -5.08 67.62 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 116.691 1.436 . . . . 25.0 116.691 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -107.3 137.79 44.71 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.927 1.363 . . . . 25.0 110.146 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.83 105.14 55.98 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-O 121.214 0.53 . . . . 25.0 110.759 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.07 160.35 36.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 CA-C-O 120.99 0.329 . . . . 25.0 112.734 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -75.79 147.38 39.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.69 -30.59 71.61 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.07 -0.394 . . . . 25.0 110.897 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.07 82.23 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -70.33 -37.92 74.77 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.3 -38.42 77.01 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.641 -0.254 . . . . 25.0 111.026 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -59.43 -44.91 92.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.62 -0.264 . . . . 25.0 110.515 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.13 -32.48 63.18 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.677 0.275 . . . . 25.0 111.665 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 mtt -59.23 -35.2 73.23 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.252 0.549 . . . . 25.0 110.782 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.87 -38.09 74.79 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.882 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -63.59 -38.04 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.462 0.649 . . . . 25.0 111.09 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.04 -10.04 55.58 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.84 -42.87 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.164 0.507 . . . . 25.0 111.896 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -134.34 66.9 1.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.129 0.966 . . . . 25.0 110.827 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.92 63.65 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.246 -0.888 . . . . 25.0 113.18 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -88.22 -18.54 28.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.566 0.698 . . . . 25.0 110.904 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.12 32.35 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 114.95 0.74 . . . . 25.0 114.95 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -64.79 -27.82 69.15 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 117.41 0.605 . . . . 25.0 110.536 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.97 52.22 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.3 p -129.82 158.74 38.63 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.862 1.831 . . . . 25.0 113.784 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.5 mt -138.01 128.85 37.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.416 -2.068 . . . . 25.0 105.416 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.5 169.3 12.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.317 1.056 . . . . 25.0 110.901 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.61 -45.69 76.47 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -65.4 -25.69 56.06 Favored 'Trans proline' 0 C--N 1.358 1.054 1 C-N-CA 112.786 -4.343 . . . . 25.0 113.757 177.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.94 -43.0 65.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -55.79 -44.98 78.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 25.0 110.128 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.04 -36.7 77.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.865 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -64.41 -37.62 88.14 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.01 -0.431 . . . . 25.0 109.916 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.5 ttm -60.16 -46.18 90.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.12 -45.32 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 25.0 109.873 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.4 -27.76 69.31 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -67.93 -43.01 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.184 -0.322 . . . . 25.0 110.308 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -73.0 -33.03 65.53 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.499 0.19 . . . . 25.0 110.885 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -3.92 7.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.412 1.634 . . . . 25.0 115.412 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.17 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.475 -0.765 . . . . 25.0 110.104 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.99 142.97 39.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.909 -1.041 . . . . 25.0 112.791 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -142.53 143.38 32.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -75.3 -36.53 61.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 t -67.07 -51.93 48.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.05 -37.42 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.613 -0.679 . . . . 25.0 111.372 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.43 -35.77 79.89 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.12 -43.91 95.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.071 0.463 . . . . 25.0 110.381 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.73 -41.05 84.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -63.43 -31.89 73.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.88 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.07 -47.8 77.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.789 0.722 . . . . 25.0 112.026 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.8 85.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.048 0.451 . . . . 25.0 111.113 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.44 -23.44 60.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -57.24 -29.52 63.85 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.87 -11.4 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -94.57 -25.44 16.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -85.38 89.46 7.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.069 -1.086 . . . . 25.0 108.069 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -74.58 -24.35 58.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -105.69 -8.98 17.56 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.0 31.72 61.57 Favored Glycine 0 C--N 1.331 0.273 0 N-CA-C 109.186 -1.565 . . . . 25.0 109.186 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -91.01 -14.94 30.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.87 -25.48 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.545 -0.722 . . . . 25.0 112.836 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -116.61 139.31 50.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.46 161.66 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 t -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.555 -0.715 . . . . 25.0 109.134 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.88 66.27 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.463 0.649 . . . . 25.0 110.541 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.03 71.69 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.045 0.45 . . . . 25.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -82.08 -37.4 26.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.71 -41.3 97.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -59.26 -35.26 73.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.446 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -67.13 -43.27 82.83 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.54 -47.6 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.93 68.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.093 0.473 . . . . 25.0 112.142 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.52 -36.94 37.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 25.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -73.17 -35.3 66.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.297 0.57 . . . . 25.0 112.352 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.67 -34.56 77.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.705 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.67 173.85 36.65 Favored Glycine 0 C--O 1.218 -0.887 0 N-CA-C 111.458 -0.657 . . . . 25.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.52 33.85 8.56 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.248 1.023 . . . . 25.0 112.396 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 119.59 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.697 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.09 175.19 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 25.0 109.724 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.0 p -66.53 160.93 24.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.57 -33.7 71.77 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -68.03 -36.41 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.818 0.342 . . . . 25.0 111.352 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.29 -34.18 70.41 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.69 0.757 . . . . 25.0 110.732 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.78 -28.69 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 121.823 -0.548 . . . . 25.0 109.791 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.3 -33.93 71.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.968 0.413 . . . . 25.0 111.563 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -53.55 -40.87 65.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.036 0.446 . . . . 25.0 111.383 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.5 mtm -82.56 -32.83 28.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.666 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.37 -41.39 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -52.89 -42.88 65.72 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -31.84 55.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.659 0.742 . . . . 25.0 112.317 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.97 -18.86 35.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.967 1.84 . . . . 25.0 115.967 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.66 135.14 43.73 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.455 1.279 . . . . 25.0 114.455 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.8 mm -113.73 117.5 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.68 -24.79 67.09 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -74.91 -29.41 60.95 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.053 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.87 -25.52 11.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.37 19.69 79.78 Favored Glycine 0 C--O 1.241 0.543 0 N-CA-C 109.745 -1.342 . . . . 25.0 109.745 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -122.23 162.0 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.575 -0.813 . . . . 25.0 109.969 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.06 144.5 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.72 147.02 51.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -31.87 8.4 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.802 -0.359 . . . . 25.0 111.469 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.37 -49.75 57.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -73.84 -26.33 60.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.983 -1.118 . . . . 25.0 107.983 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.0 -41.47 87.74 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.95 -43.0 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.063 0.458 . . . . 25.0 110.167 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.22 -34.31 74.67 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 120.292 -0.563 . . . . 25.0 110.581 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.4 ttp -63.66 -25.07 68.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.12 0.486 . . . . 25.0 111.632 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.7 mtt -73.69 -17.41 61.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.579 -0.701 . . . . 25.0 112.151 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t -123.9 -14.68 7.11 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -141.07 159.69 41.67 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.478 -0.764 . . . . 25.0 110.211 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.253 1.289 0 N-CA-C 103.717 -2.697 . . . . 25.0 103.717 -178.627 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 110.422 -0.214 . . . . 25.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.79 163.46 13.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.031 0.532 . . . . 25.0 110.062 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -132.75 151.16 52.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.742 0.306 . . . . 25.0 111.033 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.62 131.01 41.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.2 p -78.55 158.19 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.021 0.438 . . . . 25.0 111.449 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.85 -33.82 73.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.39 -37.56 87.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.326 0.584 . . . . 25.0 109.944 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.19 -33.32 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.095 -0.378 . . . . 25.0 110.12 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.74 -33.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.84 81.88 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.017 -0.427 . . . . 25.0 110.372 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.59 -39.85 95.44 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.735 -0.603 . . . . 25.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -65.11 -37.73 88.39 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.22 -41.32 90.28 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.737 -0.211 . . . . 25.0 111.038 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.09 -41.91 97.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.973 0.416 . . . . 25.0 109.909 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.769 0.319 . . . . 25.0 110.635 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -69.87 -47.92 60.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 109.942 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 t -66.3 -20.2 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -24.07 66.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.798 0.332 . . . . 25.0 111.326 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.5 -5.37 12.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.86 77.73 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.25 -8.94 26.35 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.383 -0.826 . . . . 25.0 112.431 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -82.63 -28.04 31.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.8 -1.555 . . . . 25.0 106.8 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.8 2.66 69.24 Favored Glycine 0 C--N 1.328 0.095 0 CA-C-N 115.321 -0.854 . . . . 25.0 113.572 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.24 -5.96 58.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.89 35.28 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.5 p -132.33 165.14 24.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.08 164.63 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 104.208 -2.516 . . . . 25.0 104.208 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -89.22 161.2 16.56 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.3 p -59.96 -28.17 67.42 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.144 0.973 . . . . 25.0 109.922 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.61 -23.77 62.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.145 -0.934 . . . . 25.0 111.377 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.04 -3.78 40.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.518 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.31 -41.95 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.681 0.753 . . . . 25.0 109.131 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -30.09 76.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.612 -0.804 . . . . 25.0 112.489 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -33.07 62.37 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.237 -0.566 . . . . 25.0 111.716 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.75 -45.46 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -39.46 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.289 0.566 . . . . 25.0 110.289 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -64.59 -33.71 76.56 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.004 -0.435 . . . . 25.0 111.083 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -68.68 -30.45 69.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.75 4.73 13.02 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.872 0.469 . . . . 25.0 110.561 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.36 -4.39 62.17 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -136.49 131.25 33.72 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.899 1.35 . . . . 25.0 111.967 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -83.07 133.77 47.54 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 106.896 -1.52 . . . . 25.0 106.896 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.49 168.23 21.67 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 118.041 -0.839 . . . . 25.0 111.465 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.56 146.9 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -67.21 -29.02 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -176.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.83 97.03 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.954 0.406 . . . . 25.0 110.769 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.57 -41.34 93.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.02 -40.67 96.48 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.31 -48.25 82.32 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.522 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -68.02 -35.12 77.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.557 -0.457 . . . . 25.0 111.254 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.17 -29.47 68.35 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 120.846 0.355 . . . . 25.0 111.541 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -79.63 -36.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.12 -39.69 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.12 -0.362 . . . . 25.0 111.711 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -70.71 -21.55 62.55 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.294 -0.879 . . . . 25.0 112.555 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.13 -38.46 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.84 -12.49 61.59 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.309 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.95 79.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.16 -27.54 19.51 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.343 -1.354 . . . . 25.0 107.343 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.31 66.29 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 117.331 1.692 . . . . 25.0 117.331 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.87 -29.87 69.89 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.783 1.292 . . . . 25.0 113.744 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.5 -4.1 21.94 Favored Glycine 0 C--O 1.246 0.851 0 C-N-CA 121.215 -0.517 . . . . 25.0 113.989 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 167.7 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.21 -2.144 . . . . 25.0 105.21 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.64 112.88 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.917 -1.882 . . . . 25.0 105.917 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.71 172.0 13.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.34 -45.75 78.23 Favored Pre-proline 0 C--N 1.315 -0.918 0 C-N-CA 119.754 -0.778 . . . . 25.0 112.901 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -61.77 -31.89 85.87 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 114.323 -3.318 . . . . 25.0 114.464 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.671 -0.643 . . . . 25.0 109.476 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -61.39 -41.41 97.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.11 -36.2 81.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.201 -0.312 . . . . 25.0 110.517 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -64.29 -38.27 90.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.9 ttm -65.2 -25.15 67.58 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.063 -0.398 . . . . 25.0 111.019 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -73.95 -34.06 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 120.948 -1.095 . . . . 25.0 108.978 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.67 -19.99 65.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.962 0.41 . . . . 25.0 111.117 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -54.93 -34.24 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.193 0.521 . . . . 25.0 111.234 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -91.5 -5.13 54.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.244 -0.435 . . . . 25.0 112.088 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.9 ttp -80.14 -17.85 51.39 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 112.597 0.592 . . . . 25.0 112.597 -177.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 72.87 -158.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 125.02 1.328 . . . . 25.0 111.576 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.41 162.64 36.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 102.824 -3.028 . . . . 25.0 102.824 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t 44.39 38.71 2.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.124 1.527 . . . . 25.0 115.124 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -53.69 -28.33 32.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.665 1.728 . . . . 25.0 115.665 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -56.31 -31.96 64.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.037 0.384 . . . . 25.0 112.037 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -83.49 -32.72 25.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.555 0.693 . . . . 25.0 111.456 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -89.82 -32.04 17.1 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.85 -34.61 74.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 119.005 0.821 . . . . 25.0 111.828 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.66 -41.22 89.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.901 0.858 . . . . 25.0 108.938 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -83.83 -31.79 25.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -89.46 -37.54 14.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.37 83.58 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -174.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.36 -23.93 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.744 -0.597 . . . . 25.0 112.142 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -68.99 -27.99 66.2 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.33 -17.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.591 -0.443 . . . . 25.0 109.921 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -95.54 -18.23 20.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.062 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -83.48 83.15 7.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 173.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.97 -42.73 49.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -119.52 9.45 11.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -172.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.28 38.26 26.01 Favored Glycine 0 N--CA 1.464 0.528 0 C-N-CA 120.578 -0.82 . . . . 25.0 112.457 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -76.43 -23.88 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.4 -3.58 81.99 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 111.665 -0.574 . . . . 25.0 111.665 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -138.9 159.66 41.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 pt -135.43 161.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 t -67.22 143.26 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.04 -22.83 67.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.793 0.33 . . . . 25.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.42 91.06 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.01 -28.49 57.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.344 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.02 -45.26 94.39 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -62.97 -36.69 84.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.457 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.67 -46.91 87.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.62 -46.64 95.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.895 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.5 mtt -62.33 -39.31 92.63 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 t -75.81 -17.95 59.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.664 -0.648 . . . . 25.0 110.922 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -81.64 0.46 38.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -93.55 5.98 49.77 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 175.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.34 160.18 34.3 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.84 -0.618 . . . . 25.0 114.638 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.18 150.35 47.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -115.87 163.71 15.47 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -71.5 -42.34 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 25.0 110.924 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -121.07 156.64 31.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.005 -0.543 . . . . 25.0 109.74 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -65.08 -30.15 71.08 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.15 -32.76 66.71 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.34 -24.68 67.73 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.926 0.393 . . . . 25.0 111.566 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.13 -43.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.11 -38.27 82.5 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.855 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -65.39 -30.62 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 77.8 mtm -69.93 -31.05 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -78.73 -39.37 22.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.41 -25.52 67.25 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.68 -27.38 63.97 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.649 -0.421 . . . . 25.0 111.832 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.43 145.02 26.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.218 0.532 . . . . 25.0 110.811 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.83 138.78 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.7 tt -81.48 107.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.141 0.972 . . . . 25.0 111.643 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.03 140.74 58.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.261 -0.881 . . . . 25.0 113.177 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -16.75 79.14 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.637 -0.711 . . . . 25.0 113.341 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -77.25 -12.18 59.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 25.0 111.469 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 4.97 89.46 Favored Glycine 0 C--O 1.237 0.298 0 C-N-CA 120.98 -0.629 . . . . 25.0 112.359 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -121.09 154.6 35.92 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.2 148.94 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.279 0.362 . . . . 25.0 110.091 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -76.35 104.68 6.98 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 122.296 1.046 . . . . 25.0 110.82 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.37 -28.78 64.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -171.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.52 -40.96 96.6 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.571 -0.852 . . . . 25.0 111.983 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -74.24 -33.04 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -37.55 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.563 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.32 -42.07 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.56 -40.0 92.34 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.983 -0.287 . . . . 25.0 110.261 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.4 ttp -63.91 -39.8 95.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.124 0.488 . . . . 25.0 110.699 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 tpp -66.4 -16.62 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.8 p -111.74 24.42 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.802 0.334 . . . . 25.0 111.239 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.22 -165.56 0.59 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.023 0.44 . . . . 25.0 110.769 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.3 pttt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.034 -1.936 . . . . 25.0 107.671 -179.227 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.71 172.26 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -68.33 -12.61 61.36 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.751 1.019 . . . . 25.0 113.751 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 tp -144.4 137.49 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.721 -1.955 . . . . 25.0 105.721 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.3 p -111.18 158.66 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.029 0.442 . . . . 25.0 109.916 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.28 -21.6 66.28 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.927 0.394 . . . . 25.0 110.367 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.25 -42.79 99.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.08 -34.88 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.415 0.626 . . . . 25.0 109.836 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.39 -35.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.133 -0.355 . . . . 25.0 110.723 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.02 -42.5 99.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.64 -35.72 79.43 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.23 -0.294 . . . . 25.0 110.565 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 3.4 tmtt? -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.46 -38.38 81.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.463 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.11 86.13 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.982 0.42 . . . . 25.0 110.371 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.33 -45.39 73.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 14.8 t -65.98 -21.62 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -25.86 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 25.0 110.704 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.33 -14.69 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.436 . . . . 25.0 112.044 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -81.56 77.25 8.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -69.35 -16.98 63.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.073 -1.422 . . . . 25.0 112.556 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -97.11 -27.87 14.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.331 0.586 . . . . 25.0 111.2 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.14 64.06 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.36 -0.836 . . . . 25.0 113.574 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.38 0.36 57.44 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.373 0.606 . . . . 25.0 111.423 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 25.52 52.61 Favored Glycine 0 C--O 1.234 0.14 0 CA-C-O 119.732 -0.482 . . . . 25.0 113.563 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.0 p -133.91 158.68 42.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.345 0.573 . . . . 25.0 112.386 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 pt -138.91 167.04 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 p -86.59 160.81 18.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -60.3 -31.1 69.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.593 0.711 . . . . 25.0 110.724 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.189 -0.459 . . . . 25.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -11.48 59.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.59 -40.38 75.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.58 95.61 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.728 -0.749 . . . . 25.0 111.441 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.18 83.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.16 -0.612 . . . . 25.0 112.212 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.59 -47.03 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -63.01 -41.39 99.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 25.0 109.907 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.2 -23.88 67.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.948 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -66.0 -23.06 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.342 -0.224 . . . . 25.0 111.017 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.53 13.31 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 25.0 109.804 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 -4.16 86.11 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 114.988 0.755 . . . . 25.0 114.988 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.91 123.04 30.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.28 92.1 16.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 121.272 0.558 . . . . 25.0 109.737 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.35 169.36 20.2 Favored 'Trans proline' 0 C--O 1.237 0.427 0 N-CA-C 109.64 -0.946 . . . . 25.0 109.64 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -67.43 156.07 37.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.7 -25.33 67.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.933 -0.48 . . . . 25.0 110.37 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.89 -47.34 72.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.81 -39.28 93.33 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.67 -44.22 96.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.573 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.53 -42.88 77.84 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 121.111 -0.236 . . . . 25.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 25.0 111.352 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -66.4 -30.98 71.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.024 -0.422 . . . . 25.0 111.281 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.73 -37.02 54.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.17 -34.49 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.724 -0.61 . . . . 25.0 109.829 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.51 -6.02 33.1 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -122.69 -43.06 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.937 0.399 . . . . 25.0 111.681 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.27 55.85 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.465 0.65 . . . . 25.0 112.203 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -30.96 72.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.125 0.488 . . . . 25.0 109.81 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -91.92 -15.72 27.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.806 0.812 . . . . 25.0 110.917 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.53 37.08 41.76 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.207 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -64.18 -29.08 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.06 2.72 90.6 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.571 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -134.0 153.84 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -133.95 126.66 50.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.72 171.55 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.072 0.939 . . . . 25.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -66.91 -43.94 49.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.9 -26.24 59.39 Favored 'Trans proline' 0 C--N 1.357 1.021 1 C-N-CA 112.441 -4.573 . . . . 25.0 113.443 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -71.4 -42.02 68.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.05 -43.78 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 25.0 109.637 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.2 -39.65 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.69 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -64.29 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.748 -0.205 . . . . 25.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.2 mtp -59.74 -43.13 94.38 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.969 -0.457 . . . . 25.0 109.861 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.79 -42.29 77.55 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.396 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.3 74.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 25.0 111.031 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.75 -41.8 68.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.506 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -70.05 -23.35 63.08 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.05 10.65 2.21 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.336 0.865 . . . . 25.0 113.336 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -109.46 124.19 50.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.38 154.32 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.794 0.683 . . . . 25.0 109.171 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 p -123.1 115.74 22.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.576 0.703 . . . . 25.0 111.636 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -36.26 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.956 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 76.9 p -60.37 -38.04 82.62 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.043 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -83.28 -31.63 26.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -69.57 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.82 -37.54 82.36 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.154 0.502 . . . . 25.0 109.783 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.59 -39.88 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.957 -0.756 . . . . 25.0 108.957 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.77 -34.36 78.0 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.114 -0.366 . . . . 25.0 110.754 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.05 -35.25 73.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.655 0.264 . . . . 25.0 111.208 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.36 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.962 0.411 . . . . 25.0 111.221 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -86.55 -25.12 25.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.755 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -65.71 -15.9 63.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.5 0.555 . . . . 25.0 112.5 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -65.3 -20.48 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -108.17 3.36 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 25.0 111.762 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -78.82 146.18 33.86 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -85.38 -49.98 7.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -133.66 9.01 3.91 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.75 25.78 10.39 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.579 -1.008 . . . . 25.0 110.579 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -78.79 -8.41 58.74 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -0.72 83.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 117.406 1.722 . . . . 25.0 117.406 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.04 146.07 40.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.984 0.892 . . . . 25.0 112.003 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.99 158.17 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.9 t -59.42 140.84 55.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.36 -28.29 69.66 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.442 0.639 . . . . 25.0 110.266 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.22 77.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -33.45 73.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.618 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.63 -38.66 78.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.69 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -61.48 -33.32 73.57 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 25.0 110.571 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -68.42 -39.66 81.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.7 t -67.18 -44.32 87.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -23.67 67.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.7 t -94.92 0.72 54.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.083 0.401 . . . . 25.0 112.083 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -62.43 -14.75 44.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.6 mt -84.09 -14.78 49.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.03 0.443 . . . . 25.0 110.688 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.48 169.24 11.84 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 108.158 -1.977 . . . . 25.0 108.158 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.2 128.14 34.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -75.08 140.19 43.31 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.6 -43.82 88.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.53 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.0 p -119.01 140.65 49.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.24 -30.9 70.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 174.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -54.24 -35.77 62.84 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.838 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.2 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 25.0 110.557 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.35 -41.67 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.56 -32.9 74.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 25.0 112.643 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -33.77 73.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.064 0.393 . . . . 25.0 110.736 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 69.8 mtm -75.18 -29.53 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.477 -0.764 . . . . 25.0 110.982 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.52 -29.09 18.22 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -58.38 -32.43 68.59 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.295 0.638 . . . . 25.0 112.29 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.52 -42.24 30.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.853 0.359 . . . . 25.0 110.124 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.27 62.98 5.58 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.09 8.03 2.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.7 96.69 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 122.152 0.977 . . . . 25.0 113.303 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.52 5.07 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -36.27 -54.28 1.27 Allowed Glycine 0 N--CA 1.466 0.691 0 N-CA-C 117.997 1.959 . . . . 25.0 117.997 -174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -126.0 17.35 7.89 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.26 10.96 85.8 Favored Glycine 0 C--O 1.244 0.733 0 CA-C-N 115.101 -0.954 . . . . 25.0 114.383 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.09 153.83 33.09 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 117.486 0.643 . . . . 25.0 112.693 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.23 148.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -78.57 110.23 13.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.042 0.925 . . . . 25.0 111.514 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.12 -20.68 64.05 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.422 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.941 -0.475 . . . . 25.0 111.097 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.24 -35.39 76.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.18 -35.08 77.47 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.667 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.56 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -64.32 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 25.0 111.103 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.34 -39.12 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.504 . . . . 25.0 111.932 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.7 mtt -82.6 -6.99 59.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t -109.87 11.15 24.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.13 -169.23 0.9 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.817 0.817 . . . . 25.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt . . . . . 0 C--O 1.247 0.961 0 CA-C-O 116.679 -1.629 . . . . 25.0 109.504 -174.506 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.54 153.68 43.12 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.84 161.5 42.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.077 -1.082 . . . . 25.0 108.077 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 mp -97.95 141.22 31.18 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 103.68 -2.711 . . . . 25.0 103.68 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -129.51 167.15 18.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.42 -20.43 65.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.89 0.376 . . . . 25.0 110.395 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.82 -39.59 91.0 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -73.41 -34.24 65.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.82 -36.31 76.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.52 86.99 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.317 -0.239 . . . . 25.0 111.524 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.78 -39.92 84.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.579 0.704 . . . . 25.0 110.933 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -65.56 -36.73 84.65 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.486 -0.759 . . . . 25.0 109.532 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -75.59 -36.98 60.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.11 -41.05 86.86 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.797 -0.564 . . . . 25.0 109.927 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.08 85.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 25.0 110.361 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -65.68 -50.34 65.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 25.0 109.986 177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -66.13 -19.73 65.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.949 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.43 -35.05 76.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.583 0.706 . . . . 25.0 111.297 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -102.79 -9.6 19.83 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.671 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -82.01 85.77 6.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -68.73 -30.24 68.83 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 114.504 1.298 . . . . 25.0 114.504 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.3 -25.02 17.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.563 0.697 . . . . 25.0 112.272 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.72 14.83 59.08 Favored Glycine 0 CA--C 1.51 -0.275 0 CA-C-N 115.354 -0.839 . . . . 25.0 113.028 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -73.71 -11.31 60.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.188 0.518 . . . . 25.0 112.373 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.72 21.99 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -135.46 157.21 47.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.661 0.743 . . . . 25.0 112.538 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -134.21 173.19 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 103.354 -2.832 . . . . 25.0 103.354 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 p -99.21 161.5 13.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.786 -1.191 . . . . 25.0 107.786 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -54.84 -44.02 73.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.079 0.466 . . . . 25.0 111.944 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -65.54 -28.87 69.47 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.12 -16.38 53.19 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.728 0.299 . . . . 25.0 111.133 -175.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.57 -37.46 78.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.445 0.64 . . . . 25.0 109.974 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.91 -27.78 70.84 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.544 -0.836 . . . . 25.0 112.064 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -35.75 31.64 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.498 -1.001 . . . . 25.0 111.635 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.4 -46.17 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.21 -38.56 83.7 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 120.973 0.416 . . . . 25.0 111.043 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.89 -35.09 77.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.798 -0.564 . . . . 25.0 111.051 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -67.5 -27.27 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.359 -0.213 . . . . 25.0 110.958 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.33 -0.11 9.35 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.47 72.54 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 117.995 1.958 . . . . 25.0 117.995 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -142.75 138.77 30.72 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 118.609 1.204 . . . . 25.0 111.002 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -85.39 128.43 59.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.45 173.94 13.07 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 118.166 -0.756 . . . . 25.0 111.602 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.91 138.38 42.34 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.82 -25.58 64.75 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -64.4 0.87 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.925 0.393 . . . . 25.0 111.808 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.2 -28.6 69.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.379 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -36.7 84.9 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -69.98 -42.2 73.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.1 -33.73 76.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.502 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.7 mtt -59.57 -29.34 67.87 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -75.76 -32.36 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 122.184 -0.322 . . . . 25.0 110.874 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.18 -37.29 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 121.147 0.499 . . . . 25.0 111.171 -176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.83 -27.78 66.92 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -98.58 -29.71 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.497 0.665 . . . . 25.0 110.294 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.2 -21.54 59.63 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.87 -0.519 . . . . 25.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.13 69.85 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.49 -27.11 61.21 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 122.351 1.072 . . . . 25.0 110.48 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.56 88.92 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.918 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -70.6 -26.32 63.45 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.01 12.11 83.55 Favored Glycine 0 CA--C 1.52 0.377 0 O-C-N 121.74 -0.6 . . . . 25.0 112.136 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -133.99 168.85 18.03 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -128.18 113.69 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.3 167.91 19.01 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.812 0.815 . . . . 25.0 109.608 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -60.29 -45.14 97.6 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 114.776 1.399 . . . . 25.0 114.776 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.79 -33.29 76.68 Favored 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 112.888 -4.275 . . . . 25.0 114.835 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -69.96 -34.45 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.718 0.77 . . . . 25.0 109.778 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.84 -38.74 92.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.692 -0.685 . . . . 25.0 109.357 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.52 -32.76 71.79 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.841 -0.537 . . . . 25.0 110.875 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.0 m -61.05 -34.72 75.32 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.7 mtt -60.97 -26.5 67.6 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.44 -0.787 . . . . 25.0 111.215 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -87.54 -7.63 57.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.747 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.77 68.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.064 0.146 . . . . 25.0 111.364 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -55.37 -34.18 64.08 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.714 0.292 . . . . 25.0 111.345 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -72.21 -24.38 61.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.351 0.5 . . . . 25.0 112.351 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.0 ttm -96.36 -4.84 41.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.943 -0.571 . . . . 25.0 109.847 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.4 tttt 68.31 114.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.081 1.752 . . . . 25.0 113.028 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.26 154.02 18.89 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.194 -1.78 . . . . 25.0 106.194 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -86.5 -31.37 21.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -80.99 -42.61 20.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.536 . . . . 25.0 109.554 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.4 t -61.96 -33.12 73.7 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.855 0.836 . . . . 25.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.01 -45.06 96.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.752 -0.832 . . . . 25.0 108.752 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -73.54 -28.13 61.71 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 -47.44 86.31 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 118.772 0.715 . . . . 25.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.7 -39.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.227 1.013 . . . . 25.0 109.187 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -63.85 -26.64 68.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.164 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.52 -39.15 67.34 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.122 0.415 . . . . 25.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.16 -27.86 68.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.14 0.495 . . . . 25.0 112.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -91.04 -19.65 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.672 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -62.66 -33.66 75.49 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.216 0.531 . . . . 25.0 111.527 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.47 -16.68 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 116.144 -0.48 . . . . 25.0 112.116 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -98.24 -10.58 23.79 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.722 0.296 . . . . 25.0 110.933 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.1 115.73 20.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.39 -42.15 79.48 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.32 4.08 5.17 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.14 36.24 11.33 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -87.91 -18.59 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.1 -0.99 87.73 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 112.161 -0.376 . . . . 25.0 112.161 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -120.06 141.26 49.92 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.742 0.817 . . . . 25.0 109.972 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -138.87 165.29 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.2 t -71.5 152.45 43.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.17 66.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.5 97.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.516 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -71.39 -36.12 71.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.176 0.513 . . . . 25.0 109.764 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.14 -45.94 89.55 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -60.03 -40.56 89.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.674 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -57.42 -52.01 67.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 119.369 -0.348 . . . . 25.0 110.544 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.2 -43.48 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.201 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 29.7 mtt -60.95 -39.18 88.54 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.162 -0.336 . . . . 25.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -67.05 -35.15 79.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -69.87 -24.33 63.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.819 0.342 . . . . 25.0 111.829 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.5 -14.85 22.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 112.136 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.47 144.4 25.58 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 120.913 -0.661 . . . . 25.0 111.635 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -130.92 -32.04 1.67 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -129.16 176.7 7.7 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -174.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -162.62 0.22 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.146 1.378 . . . . 25.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 t -101.59 152.56 20.66 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.805 0.442 . . . . 25.0 110.687 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.75 -23.35 67.15 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.287 0.565 . . . . 25.0 111.538 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -68.44 -24.45 64.73 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.752 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.64 -35.45 75.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.8 -39.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -66.04 -32.33 73.74 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 112.481 0.548 . . . . 25.0 112.481 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -66.5 -34.71 78.53 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.946 -0.471 . . . . 25.0 110.073 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 75.8 mtm -66.42 -34.76 78.67 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 120.963 -1.086 . . . . 25.0 109.764 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.22 -32.1 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -68.49 -37.87 80.49 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.997 0.519 . . . . 25.0 111.873 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.23 -21.99 61.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.607 0.718 . . . . 25.0 111.483 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.98 138.71 32.98 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.94 134.4 52.9 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 174.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.5 mt -119.47 128.16 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 105.276 -2.12 . . . . 25.0 105.276 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -71.16 161.83 30.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.82 -23.4 61.14 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 114.614 0.605 . . . . 25.0 114.614 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -83.55 6.31 20.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 25.0 111.764 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 31.69 58.8 Favored Glycine 0 C--O 1.24 0.495 0 C-N-CA 121.489 -0.386 . . . . 25.0 112.224 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.15 156.92 30.11 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.77 156.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -94.01 106.62 18.59 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -71.33 -21.05 62.1 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.947 -0.471 . . . . 25.0 111.748 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.53 -37.99 76.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.44 0.638 . . . . 25.0 110.031 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.48 94.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.557 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.07 -43.53 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -40.4 95.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.098 0.475 . . . . 25.0 110.326 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 tpp -57.83 -30.64 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 mtt -70.76 -11.55 61.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t -135.23 10.33 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.9 158.78 20.48 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.229 1.412 . . . . 25.0 112.996 174.567 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.11 -33.09 73.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 122.52 1.153 . . . . 25.0 107.935 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -108.11 139.44 42.76 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 103.488 -2.782 . . . . 25.0 103.488 171.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -65.28 144.65 57.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -116.39 158.79 22.94 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.975 -1.12 . . . . 25.0 107.975 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.86 -27.18 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.1 -42.79 99.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.604 -0.271 . . . . 25.0 111.683 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.2 -22.12 49.05 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 119.654 -0.818 . . . . 25.0 110.032 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -71.13 -38.48 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.4 87.8 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -60.39 -43.15 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.437 0.637 . . . . 25.0 109.707 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.92 -38.74 89.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -63.81 -40.73 97.34 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.747 -0.595 . . . . 25.0 111.089 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.78 -35.0 79.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 25.0 110.466 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -70.21 -46.55 64.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.653 0.739 . . . . 25.0 109.622 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 t -68.84 -19.65 64.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -25.38 67.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.371 . . . . 25.0 111.201 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -112.96 -8.11 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.732 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.44 80.3 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.814 1.292 . . . . 25.0 107.874 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -71.18 -16.54 62.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.172 -1.376 . . . . 25.0 112.683 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.92 -28.19 13.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 25.0 111.695 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.1 59.89 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-N 115.252 -0.885 . . . . 25.0 114.594 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.25 -12.28 59.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.64 21.47 50.79 Favored Glycine 0 C--O 1.243 0.677 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.13 167.01 21.75 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.073 0.549 . . . . 25.0 109.706 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -135.46 164.52 32.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 104.88 -2.267 . . . . 25.0 104.88 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -79.45 158.38 27.31 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 p -55.92 -35.32 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 25.0 112.183 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.54 -25.56 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.72 -9.95 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.089 0.471 . . . . 25.0 111.957 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.72 -38.74 70.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.412 0.625 . . . . 25.0 110.746 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.2 -26.41 74.15 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.752 -0.737 . . . . 25.0 112.998 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -40.1 19.66 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.256 -0.556 . . . . 25.0 111.211 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.59 -46.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.762 0.315 . . . . 25.0 110.761 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.6 mtt -64.72 -36.8 85.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.587 -0.696 . . . . 25.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -60.9 -35.63 77.17 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 t -68.98 -21.78 64.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -86.39 5.85 32.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.401 0.619 . . . . 25.0 109.852 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.92 66.17 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -145.02 123.17 12.15 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 118.841 1.32 . . . . 25.0 110.872 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -87.82 150.44 48.04 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.17 167.3 26.2 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 117.601 -1.133 . . . . 25.0 109.567 175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -72.35 160.8 31.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.731 -1.951 . . . . 25.0 105.731 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -62.01 -32.62 73.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.17 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.411 0.148 . . . . 25.0 110.896 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.11 -46.09 92.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.117 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.22 -42.65 93.23 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.933 -0.307 . . . . 25.0 111.142 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.85 -43.24 96.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.801 0.334 . . . . 25.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.43 -30.77 71.6 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.249 0.547 . . . . 25.0 111.73 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.0 mt -69.36 -39.52 78.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.69 -33.14 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.335 -0.228 . . . . 25.0 110.855 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -55.44 -38.99 69.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.076 0.398 . . . . 25.0 111.336 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 HG12 ' A' ' 63' ' ' ILE . 91.9 t -93.73 -37.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -65.67 -14.57 61.5 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.679 -0.638 . . . . 25.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.66 96.72 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.699 -0.228 . . . . 25.0 111.157 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.68 -24.27 17.93 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.2 22.18 38.97 Favored Glycine 0 N--CA 1.454 -0.159 0 N-CA-C 115.801 1.08 . . . . 25.0 115.801 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.5 -29.6 69.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.588 1.194 . . . . 25.0 111.697 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.12 26.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 114.827 0.691 . . . . 25.0 114.827 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p -129.09 150.04 50.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.086 0.554 . . . . 25.0 109.951 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 55' ' ' VAL . 76.5 mt -120.17 124.52 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.05 170.97 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.331 1.062 . . . . 25.0 110.154 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -64.53 -45.87 77.04 Favored Pre-proline 0 CA--C 1.545 0.771 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.78 -23.42 48.28 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 112.85 -4.3 . . . . 25.0 114.123 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.93 -39.84 72.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.8 -43.23 80.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.29 -33.18 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.161 -0.337 . . . . 25.0 111.253 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 m -65.94 -38.3 88.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.133 -0.354 . . . . 25.0 110.988 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.64 -35.67 62.86 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.361 -0.837 . . . . 25.0 109.186 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.4 67.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -63.03 -36.14 82.58 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 119.168 -1.013 . . . . 25.0 109.993 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.96 -18.62 62.61 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.565 0.698 . . . . 25.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.5 mtt -86.5 -7.38 58.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 25.0 112.239 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -96.23 -19.81 19.04 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.36 151.26 44.28 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.33 104.98 6.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.82 0.819 . . . . 25.0 110.63 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -60.38 -34.11 73.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.46 -0.791 . . . . 25.0 110.915 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.8 t -59.08 -28.48 66.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -94.88 -40.85 9.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.722 -0.474 . . . . 25.0 109.722 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.92 -34.13 77.28 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.41 -43.0 88.44 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.845 0.748 . . . . 25.0 110.017 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.5 -41.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.741 0.781 . . . . 25.0 108.953 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.79 -44.65 92.72 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.452 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.11 -43.46 95.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.594 0.634 . . . . 25.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.39 -36.44 71.28 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.262 -0.426 . . . . 25.0 112.073 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -86.47 -38.67 17.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.04 -11.22 60.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.11 -18.33 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -107.13 9.26 30.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.931 0.492 . . . . 25.0 111.544 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.17 104.62 3.13 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.452 0.644 . . . . 25.0 110.141 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.36 -49.75 71.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 115.589 1.7 . . . . 25.0 115.589 -172.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -119.55 8.24 11.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.218 0.532 . . . . 25.0 110.584 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.06 20.42 79.69 Favored Glycine 0 C--O 1.236 0.227 0 N-CA-C 109.996 -1.242 . . . . 25.0 109.996 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -109.88 12.57 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.31 8.69 70.98 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 120.834 -0.698 . . . . 25.0 114.434 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -116.91 141.72 47.87 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.473 0.636 . . . . 25.0 111.515 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 pt -126.79 163.43 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -74.35 148.8 40.97 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.82 66.24 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.338 0.59 . . . . 25.0 110.575 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.36 74.14 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.952 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.86 -29.33 63.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.104 0.478 . . . . 25.0 111.613 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.26 -37.43 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.286 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.08 -26.31 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -68.97 -37.94 79.09 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 118.318 -1.353 . . . . 25.0 107.871 178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -59.81 -47.39 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -172.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.54 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -82.4 -13.09 57.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.462 0.541 . . . . 25.0 112.462 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -93.04 -25.86 17.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.776 0.322 . . . . 25.0 111.28 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.93 -2.73 27.22 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.22 160.31 32.46 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 119.859 -1.162 . . . . 25.0 114.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.09 47.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.32 134.49 38.5 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 106.316 -1.735 . . . . 25.0 106.316 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.66 -19.41 13.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 117.387 2.365 . . . . 25.0 117.387 -172.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -122.56 141.94 51.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.623 0.647 . . . . 25.0 110.602 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -64.46 -36.81 85.4 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.605 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.17 -27.43 68.4 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.98 -33.1 59.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.674 0.75 . . . . 25.0 109.184 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.14 -35.3 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.407 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.23 -42.42 81.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.678 -0.692 . . . . 25.0 112.29 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.34 -28.69 69.47 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.6 ttm -73.08 -41.99 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.699 0.761 . . . . 25.0 109.763 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.55 -42.1 94.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.74 -26.61 35.2 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.16 -26.16 61.09 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.92 15.35 2.67 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.788 2.514 . . . . 25.0 117.788 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.3 142.44 27.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.771 1.169 . . . . 25.0 112.839 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.5 mt -130.9 115.62 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.43 -1.29 45.16 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -48.71 -42.43 28.28 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.09 9.63 7.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.759 0.79 . . . . 25.0 109.5 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.66 15.93 73.74 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.219 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -117.92 152.23 35.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.613 0.365 . . . . 25.0 110.27 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.9 143.84 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -87.21 114.64 23.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -70.39 -17.32 63.03 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.193 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.29 -44.57 88.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.16 -23.94 47.47 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.592 -0.693 . . . . 25.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -34.01 69.21 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.63 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -59.43 -40.09 85.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.7 ttm -64.97 -43.98 90.87 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.057 0.456 . . . . 25.0 110.882 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 61.2 mtt -72.02 -12.5 61.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p -107.2 15.76 24.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.117 0.484 . . . . 25.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 155.12 39.51 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.271 0.557 . . . . 25.0 109.761 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.751 -1.119 . . . . 25.0 110.494 -179.408 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.42 147.9 52.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 116.495 2.035 . . . . 25.0 116.495 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 49.19 61.14 3.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.36 2.356 . . . . 25.0 117.36 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -79.65 118.4 21.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -131.01 178.34 6.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.893 0.377 . . . . 25.0 110.541 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -65.07 -20.55 66.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.42 -40.97 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.068 -0.395 . . . . 25.0 110.485 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -69.76 -34.61 74.02 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.874 -0.516 . . . . 25.0 109.864 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -65.57 -38.19 81.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.8 96.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.093 -0.336 . . . . 25.0 110.093 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.59 -40.85 98.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.957 0.408 . . . . 25.0 110.294 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.73 -34.13 76.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.78 -35.72 62.54 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.551 -0.46 . . . . 25.0 112.148 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.54 75.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.923 0.392 . . . . 25.0 111.36 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.72 -45.76 42.05 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.402 0.62 . . . . 25.0 110.148 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 11.7 t -68.5 -14.88 63.31 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.173 0.589 . . . . 25.0 112.092 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.08 -25.03 65.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.406 0.622 . . . . 25.0 109.577 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CD2' HG22 ' A' ' 35' ' ' VAL . 97.5 m-85 -111.4 -26.2 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.02 -0.991 . . . . 25.0 113.088 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 43.0 t0 -78.41 85.97 4.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.661 0.743 . . . . 25.0 109.128 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.04 -5.18 34.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.86 -25.69 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.221 0.534 . . . . 25.0 109.9 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.9 21.19 37.03 Favored Glycine 0 N--CA 1.453 -0.186 0 CA-C-N 115.879 -0.6 . . . . 25.0 114.36 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -91.35 -9.88 43.27 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.412 0.606 . . . . 25.0 112.314 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.5 10.5 79.56 Favored Glycine 0 C--O 1.241 0.573 0 C-N-CA 121.241 -0.504 . . . . 25.0 113.63 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -124.27 165.47 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -137.58 165.52 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.22 -2.511 . . . . 25.0 104.22 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.2 p -83.98 160.36 21.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -58.77 -31.44 68.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.77 0.795 . . . . 25.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.58 -37.53 86.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.827 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -73.87 -8.69 57.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.59 -37.58 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 25.0 110.588 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.29 97.83 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 120.535 -0.841 . . . . 25.0 111.826 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -41.62 58.66 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.686 -0.303 . . . . 25.0 111.708 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' CD2' ' A' ' 19' ' ' PHE . 79.7 t -66.98 -44.62 88.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 N-CA-C 110.553 -0.166 . . . . 25.0 110.553 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.65 -35.33 77.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.041 -1.037 . . . . 25.0 109.345 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -67.63 -27.69 67.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.5 p -73.07 -15.87 61.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.794 0.725 . . . . 25.0 111.591 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.21 -7.16 50.24 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.229 0.538 . . . . 25.0 109.963 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.18 -5.02 78.18 Favored Glycine 0 C--O 1.229 -0.181 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.233 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -139.3 123.13 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -94.98 144.94 28.65 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.52 172.22 16.62 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 117.496 -1.203 . . . . 25.0 109.741 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.05 146.63 54.13 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 174.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.32 -25.82 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.51 57.46 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.75 -27.82 65.26 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.34 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.3 -41.03 98.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -71.12 -38.96 72.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -58.29 -44.54 88.54 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.771 0.319 . . . . 25.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtt -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.825 0.345 . . . . 25.0 111.891 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.25 -41.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.84 -35.86 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 110.239 -0.282 . . . . 25.0 110.239 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.94 -33.42 73.15 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 122.327 -0.233 . . . . 25.0 111.103 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -89.29 -31.66 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.059 0.457 . . . . 25.0 111.501 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.93 -10.09 8.66 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.069 -0.394 . . . . 25.0 111.451 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.64 73.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.407 0.283 . . . . 25.0 110.698 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.36 -26.88 24.59 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.96 0.886 . . . . 25.0 109.676 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.74 9.24 87.25 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.2 -0.909 . . . . 25.0 114.94 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.74 -28.26 67.49 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.55 7.43 87.15 Favored Glycine 0 C--O 1.243 0.672 0 C-N-CA 121.522 -0.37 . . . . 25.0 113.464 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.1 p -129.22 162.42 27.88 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.1 mt -132.55 121.29 44.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 102.922 -2.992 . . . . 25.0 102.922 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.03 177.95 5.91 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 105.406 -2.072 . . . . 25.0 105.406 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.83 -43.82 99.52 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 115.246 1.573 . . . . 25.0 115.246 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 -30.28 28.62 Favored 'Trans proline' 0 C--N 1.357 1.001 1 C-N-CA 113.146 -4.102 . . . . 25.0 115.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.42 -36.56 79.26 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.602 1.092 . . . . 25.0 108.77 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.88 -41.09 95.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.05 -35.4 71.92 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 122.259 -0.276 . . . . 25.0 111.674 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.3 m -59.33 -36.59 75.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.449 0.642 . . . . 25.0 109.944 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.82 -12.39 53.87 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mmt -77.88 -30.44 50.82 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.419 -0.801 . . . . 25.0 109.448 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.9 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.161 0.505 . . . . 25.0 110.265 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -60.38 -33.95 73.21 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -85.82 -8.19 58.25 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.3 mmt -90.75 -3.92 57.07 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.516 0.675 . . . . 25.0 112.167 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -79.67 59.76 3.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.9 102.42 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 174.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.2 t -65.22 -19.02 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.287 1.588 . . . . 25.0 115.287 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.35 -38.57 14.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 112.185 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.0 -66.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.56 -35.19 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -172.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.31 -25.73 63.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.483 -0.761 . . . . 25.0 112.496 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.76 -41.9 91.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -66.31 -39.49 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.13 -45.79 90.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.151 -0.932 . . . . 25.0 111.02 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.71 -44.03 91.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.642 0.656 . . . . 25.0 110.444 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.6 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 25.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -18.76 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -69.86 -15.06 63.02 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.075 -1.016 . . . . 25.0 110.993 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -25.25 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.919 0.39 . . . . 25.0 109.976 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -105.53 6.2 32.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.3 129.69 40.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.94 -44.32 69.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -128.82 -1.89 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.0 6.41 75.61 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.94 7.91 36.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.972 0.386 . . . . 25.0 111.772 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.12 25.0 46.17 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 120.918 -0.658 . . . . 25.0 114.687 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -128.42 143.99 51.07 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 117.235 0.517 . . . . 25.0 110.035 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.8 pt -138.46 163.12 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -79.12 150.58 31.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.94 65.96 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.268 0.556 . . . . 25.0 110.175 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.28 90.49 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.186 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -35.07 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.29 -40.82 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -59.7 -36.72 77.08 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.53 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -65.22 -44.39 88.43 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.691 -0.404 . . . . 25.0 110.678 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.36 -44.59 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -62.0 -41.69 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -74.24 -14.93 60.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.434 -0.791 . . . . 25.0 110.915 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -88.97 -4.49 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.218 -0.301 . . . . 25.0 111.57 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.73 -28.43 68.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.048 0.451 . . . . 25.0 111.435 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.16 159.07 32.15 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.633 -0.987 . . . . 25.0 110.633 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.61 140.57 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 63.95 30.68 14.13 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 139.5 54.92 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.263 -1.755 . . . . 25.0 106.263 173.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -84.52 149.1 26.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.512 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 -39.6 91.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.44 -38.8 85.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 25.0 111.46 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.8 -38.09 88.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.532 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.36 -42.1 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.019 -0.537 . . . . 25.0 109.74 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.6 -21.21 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 78.9 mtm -76.44 -40.11 51.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.402 0.62 . . . . 25.0 109.788 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.73 -35.0 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.95 -22.03 34.77 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.97 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 25.0 111.987 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.44 156.65 20.74 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.563 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.64 74.72 2.02 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.575 0.702 . . . . 25.0 111.546 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.09 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.822 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.92 -2.28 11.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.33 -59.9 4.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.07 -1.062 . . . . 25.0 112.565 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.03 -2.33 7.08 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.68 -2.36 79.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 108.478 -1.849 . . . . 25.0 108.478 -171.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.96 157.3 26.99 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.61 158.81 43.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -79.1 152.31 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.443 -2.058 . . . . 25.0 105.443 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -37.04 7.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.515 1.302 . . . . 25.0 114.515 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.13 -34.86 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.99 -33.42 51.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.02 -43.84 91.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.986 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.3 -33.28 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.579 -0.701 . . . . 25.0 109.521 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -70.47 -38.17 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.32 -0.238 . . . . 25.0 110.692 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.69 -41.42 98.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.983 0.421 . . . . 25.0 110.739 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.9 mtm -72.8 -13.15 61.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.73 0.3 . . . . 25.0 111.316 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 39.5 p 58.05 28.53 16.44 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.651 1.18 . . . . 25.0 111.052 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.07 64.1 1.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 113.741 -1.572 . . . . 25.0 114.408 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.727 178.277 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 120.593 0.235 . . . . 25.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.79 166.28 17.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.761 0.315 . . . . 25.0 111.239 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -125.03 134.25 52.63 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.11 130.64 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.075 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 p -98.95 151.39 20.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.443 0.639 . . . . 25.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.03 -25.6 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.36 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.079 -0.388 . . . . 25.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -72.56 -38.45 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.09 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.48 98.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.711 -0.222 . . . . 25.0 111.379 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.46 -42.34 99.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.258 0.551 . . . . 25.0 110.653 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.93 -37.55 86.34 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.921 -0.487 . . . . 25.0 110.089 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.02 -40.69 82.89 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 119.348 -0.358 . . . . 25.0 110.597 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -62.56 -44.37 96.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.492 0.587 . . . . 25.0 111.308 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.59 82.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.123 0.487 . . . . 25.0 110.748 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.49 -45.05 66.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.224 0.535 . . . . 25.0 110.342 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -66.5 -22.91 66.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -24.67 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.05 0.452 . . . . 25.0 110.599 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -120.66 2.74 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.383 0.883 . . . . 25.0 113.383 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -81.0 76.91 7.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -79.04 -16.5 56.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.757 -1.111 . . . . 25.0 113.611 -172.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -94.32 -28.03 15.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.218 0.532 . . . . 25.0 110.7 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.5 7.24 61.98 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.996 -0.547 . . . . 25.0 113.318 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.9 -3.43 51.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.836 0.351 . . . . 25.0 111.94 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.15 53.81 Favored Glycine 0 C--O 1.242 0.619 0 N-CA-C 110.603 -0.999 . . . . 25.0 110.603 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.8 p -133.28 162.83 30.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.086 0.47 . . . . 25.0 110.315 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 pt -133.22 166.62 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 104.346 -2.465 . . . . 25.0 104.346 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.1 p -96.69 166.01 11.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.0 p -58.93 -25.77 63.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.709 . . . . 25.0 111.16 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -79.58 -34.2 41.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -77.44 -18.51 57.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.808 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.2 -39.91 70.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.16 0.505 . . . . 25.0 110.217 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.87 -36.85 93.83 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.72 -0.752 . . . . 25.0 112.091 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -38.46 65.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.35 -0.5 . . . . 25.0 111.538 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.18 -49.33 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -45.5 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 25.0 110.366 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -62.12 -36.64 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 m -70.33 -30.68 67.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.686 0.279 . . . . 25.0 110.679 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.56 -3.58 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 111.03 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 -0.36 89.31 Favored Glycine 0 C--O 1.227 -0.339 0 C-N-CA 121.519 -0.372 . . . . 25.0 112.806 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -85.03 125.69 32.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -107.16 91.93 7.26 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.106 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.91 152.78 58.06 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 115.192 -2.739 . . . . 25.0 109.805 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.6 p -71.34 163.19 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.27 -36.84 78.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.868 0.366 . . . . 25.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.52 78.11 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.13 -43.58 98.52 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.04 -41.26 91.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.29 -50.35 63.98 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.314 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.79 -35.28 77.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.416 0.525 . . . . 25.0 112.416 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.71 -29.78 70.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 25.0 110.203 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.1 mt -83.91 -32.9 8.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.099 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.95 -36.55 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.757 0.708 . . . . 25.0 110.114 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.5 -34.24 72.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.548 . . . . 25.0 111.159 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -86.3 -34.34 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.518 0.675 . . . . 25.0 110.547 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -64.69 -19.36 65.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.248 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.46 77.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.499 -0.319 . . . . 25.0 111.239 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.81 -26.95 16.01 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.03 0.919 . . . . 25.0 109.285 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.24 6.04 89.41 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.158 -0.928 . . . . 25.0 114.796 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -71.21 -28.91 64.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.686 0.743 . . . . 25.0 111.426 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.14 78.12 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.2 p -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.504 0.652 . . . . 25.0 110.414 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.5 mt -134.13 121.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.793 -1.558 . . . . 25.0 106.793 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 166.61 20.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.208 0.528 . . . . 25.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -58.1 -45.93 99.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.15 -29.8 47.22 Favored 'Trans proline' 0 C--N 1.356 0.954 1 C-N-CA 112.879 -4.28 . . . . 25.0 114.428 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.05 -32.26 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.815 -0.553 . . . . 25.0 109.572 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -64.22 -43.61 94.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 m -63.35 -41.14 98.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.705 0.288 . . . . 25.0 110.541 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.9 tpp -61.88 -40.54 95.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.949 -0.469 . . . . 25.0 110.322 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtm -68.12 -37.17 80.82 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.343 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.98 70.13 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.75 -38.71 92.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.27 0.557 . . . . 25.0 109.752 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -93.0 5.17 52.41 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttp -52.81 -34.51 54.02 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 118.667 2.84 . . . . 25.0 118.667 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -102.71 150.19 23.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.899 0.772 . . . . 25.0 111.899 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -115.23 98.48 6.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 m -86.05 47.9 1.53 Allowed 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.92 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.52 -66.77 0.7 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.946 0.403 . . . . 25.0 110.641 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 76.9 p -94.99 -9.87 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.528 0.68 . . . . 25.0 111.998 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.39 -37.09 82.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.35 -31.44 71.7 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.959 -0.696 . . . . 25.0 112.418 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.91 -45.27 86.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.659 0.742 . . . . 25.0 110.638 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.03 -42.4 59.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.551 . . . . 25.0 109.936 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -69.04 -26.52 65.02 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.041 -0.664 . . . . 25.0 111.253 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.94 -45.83 93.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.967 -0.458 . . . . 25.0 111.28 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.85 -13.81 58.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.813 1.412 . . . . 25.0 114.813 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -61.84 -23.22 66.12 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.8 -15.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -105.3 -7.34 18.95 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.686 0.394 . . . . 25.0 111.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -67.86 129.17 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -66.14 -50.11 65.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -129.65 3.84 5.02 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.56 39.66 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.362 -0.695 . . . . 25.0 111.362 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -110.31 2.7 19.31 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.19 -0.45 89.37 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.74 -0.743 . . . . 25.0 112.719 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -109.94 133.21 53.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.099 0.476 . . . . 25.0 110.564 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -137.26 165.33 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -72.02 149.85 44.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.7 -29.34 68.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.293 0.568 . . . . 25.0 109.943 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.61 90.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.369 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.25 -35.49 71.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.353 0.596 . . . . 25.0 109.661 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.14 -44.78 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -68.37 -27.3 66.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.889 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -61.77 -47.53 84.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -43.34 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.27 -46.07 89.51 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 111.894 0.331 . . . . 25.0 111.894 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.9 m -65.61 -36.65 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.909 0.385 . . . . 25.0 110.739 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.17 -30.73 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.35 -4.68 38.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 25.0 111.656 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.92 94.45 0.1 Allowed Glycine 0 C--O 1.229 -0.214 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.872 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.43 148.0 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.345 0.593 . . . . 25.0 110.341 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -131.91 151.45 51.7 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.16 -47.23 80.67 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.244 -0.182 . . . . 25.0 110.788 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.5 p -123.26 149.36 44.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.28 -29.54 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.643 0.735 . . . . 25.0 109.028 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -56.97 -36.41 70.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.543 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.17 -17.05 61.41 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.658 -0.651 . . . . 25.0 111.823 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.8 t -91.0 -35.74 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.8 -37.36 78.92 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.212 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 tpp -74.5 -39.31 62.49 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.028 0.918 . . . . 25.0 110.179 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.15 -34.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.974 -1.012 . . . . 25.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.86 -30.58 65.92 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.143 1.164 . . . . 25.0 114.143 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.67 -29.25 64.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.298 0.57 . . . . 25.0 111.703 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.72 153.57 30.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.528 0.68 . . . . 25.0 111.721 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.06 142.85 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.78 161.95 40.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.19 157.85 33.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.363 0.601 . . . . 25.0 110.241 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.94 -16.17 56.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -106.64 13.55 28.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.049 0.925 . . . . 25.0 111.479 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.59 34.58 19.05 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 115.603 1.001 . . . . 25.0 115.603 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.15 161.42 17.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.93 0.365 . . . . 25.0 110.687 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.09 154.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -89.47 100.03 12.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.114 -1.81 . . . . 25.0 106.114 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -60.31 -25.57 65.87 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.76 -39.78 92.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.907 0.384 . . . . 25.0 111.837 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -78.16 -27.52 48.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -33.39 68.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.782 -0.574 . . . . 25.0 109.674 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -43.26 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 107.578 -1.267 . . . . 25.0 107.578 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.87 -42.69 99.35 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.361 . . . . 25.0 111.664 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -75.01 -25.31 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 m 56.6 40.25 29.44 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.69 137.94 58.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.321 -1.309 . . . . 25.0 112.295 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.252 1.195 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -179.514 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -80.88 -9.82 59.79 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.446 0.698 . . . . 25.0 112.024 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -70.16 159.75 33.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 25.0 112.106 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.11 157.62 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.9 p -66.2 153.54 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.518 0.675 . . . . 25.0 111.955 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.16 -24.49 67.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.01 -44.83 94.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 25.0 109.526 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.259 -0.428 . . . . 25.0 109.94 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.31 -39.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.6 98.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.244 -0.285 . . . . 25.0 111.029 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -43.71 98.13 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.107 -0.371 . . . . 25.0 110.551 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.64 -36.9 85.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -64.41 -40.11 95.13 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.525 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.28 -45.73 91.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.696 0.68 . . . . 25.0 109.866 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.83 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.758 0.314 . . . . 25.0 111.646 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.07 -44.39 69.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.047 0.451 . . . . 25.0 110.662 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.8 t -64.19 -22.98 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.665 0.386 . . . . 25.0 111.981 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -25.76 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.878 0.37 . . . . 25.0 110.53 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.43 -1.93 12.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.23 70.31 5.59 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -73.33 -26.25 60.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.388 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -79.13 -28.22 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.09 -3.23 69.74 Favored Glycine 0 N--CA 1.46 0.278 0 N-CA-C 116.576 1.39 . . . . 25.0 116.576 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -91.33 5.78 47.93 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 117.493 0.647 . . . . 25.0 110.958 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 28.04 40.83 Favored Glycine 0 CA--C 1.511 -0.195 0 C-N-CA 120.331 -0.938 . . . . 25.0 111.362 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -129.72 152.73 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 pt -131.66 175.36 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 174.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 15.7 p -102.27 160.65 14.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 p -56.53 -37.4 70.42 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.52 -27.83 69.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.669 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -87.72 -8.98 55.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.81 -39.59 77.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.65 96.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 25.0 111.523 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -40.4 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.463 -0.433 . . . . 25.0 111.429 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.36 -45.27 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.12 -42.28 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.994 -0.441 . . . . 25.0 110.301 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -68.31 -22.16 64.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -74.79 -21.33 59.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 mt -82.02 -0.02 42.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -4.79 85.69 Favored Glycine 0 C--O 1.229 -0.2 0 CA-C-N 116.225 -0.443 . . . . 25.0 114.114 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -103.73 134.18 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -87.96 130.61 45.87 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.35 152.48 55.22 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 114.929 -2.914 . . . . 25.0 109.959 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.7 144.06 31.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.67 -36.16 80.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.39 -54.22 26.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.067 0.46 . . . . 25.0 110.763 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.44 -34.13 77.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.583 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 25.0 109.802 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.4 -42.12 75.51 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.18 -46.17 83.06 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.396 0.617 . . . . 25.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.97 -32.74 74.38 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -77.88 -36.87 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.1 -36.44 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 25.0 111.451 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 -38.01 13.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.511 0.672 . . . . 25.0 110.581 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -68.02 -14.71 63.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.481 . . . . 25.0 110.46 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.62 81.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.417 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -92.1 -24.58 19.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.85 6.07 82.99 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 118.078 1.991 . . . . 25.0 118.078 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.2 -28.99 66.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.825 1.312 . . . . 25.0 112.227 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.31 13.9 68.23 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.083 -0.579 . . . . 25.0 114.172 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 36.1 p -124.74 158.23 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.29 122.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.866 -1.901 . . . . 25.0 105.866 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.09 171.53 11.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.733 0.778 . . . . 25.0 109.015 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.59 -46.53 76.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -66.24 -24.81 50.55 Favored 'Trans proline' 0 C--N 1.357 0.981 1 C-N-CA 112.844 -4.304 . . . . 25.0 113.686 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.47 -39.13 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.16 -40.22 95.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.929 -0.482 . . . . 25.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 m -65.09 -37.91 89.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.349 0.595 . . . . 25.0 110.322 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.4 ttm -62.83 -41.46 99.34 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.2 mmt -72.57 -32.59 66.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 25.0 110.902 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.01 -20.15 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -57.12 -38.02 72.83 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 122.369 -0.207 . . . . 25.0 110.94 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -92.96 1.54 57.25 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -94.48 -32.63 13.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.9 0.381 . . . . 25.0 112.005 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -59.46 -37.53 78.39 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.252 1.205 . . . . 25.0 114.252 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -135.47 153.0 51.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -130.94 145.25 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.99 -17.53 60.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.192 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.3 t -59.54 -27.7 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.454 1.279 . . . . 25.0 114.454 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -64.87 -35.5 81.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.493 -0.754 . . . . 25.0 110.572 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -80.26 -25.17 39.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.866 -0.521 . . . . 25.0 109.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -62.58 -40.34 96.57 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.01 -40.89 88.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -66.21 -32.54 74.03 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.834 -0.346 . . . . 25.0 111.34 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.68 -42.88 93.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.371 . . . . 25.0 110.458 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.48 83.78 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.347 0.594 . . . . 25.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -84.38 -10.18 57.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.53 -32.02 69.93 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -173.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.31 -16.75 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.34 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.06 -34.94 10.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -85.8 49.72 1.83 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 105.659 -1.978 . . . . 25.0 105.659 172.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.6 -43.14 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 113.553 -1.658 . . . . 25.0 113.623 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 6.97 47.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.189 -0.459 . . . . 25.0 112.035 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.74 34.65 89.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.404 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -16.16 24.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 -173.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.94 88.33 Favored Glycine 0 N--CA 1.46 0.298 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -135.97 137.75 41.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 103.883 -2.636 . . . . 25.0 103.883 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.45 158.86 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -67.98 149.3 49.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.09 67.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.193 0.521 . . . . 25.0 111.19 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.54 93.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.959 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.57 -39.05 81.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.125 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -66.1 -40.11 90.5 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.096 -0.642 . . . . 25.0 109.425 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -62.31 -37.46 85.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -61.41 -45.26 95.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.426 -0.213 . . . . 25.0 110.426 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.7 -45.15 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 121.089 0.471 . . . . 25.0 109.769 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.9 mtt -63.49 -36.15 82.81 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.351 0.871 . . . . 25.0 113.351 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.4 t -87.02 -8.89 56.71 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.136 0.421 . . . . 25.0 112.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -69.67 -27.33 64.94 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.36 -12.28 59.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.059 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 170.94 12.43 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 109.626 -1.39 . . . . 25.0 109.626 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.24 162.26 29.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -123.69 164.78 18.43 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -64.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -174.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.0 p -119.07 157.31 28.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.662 0.267 . . . . 25.0 110.318 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -76.08 -30.08 58.18 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.39 -25.2 67.46 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.22 -35.76 78.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.954 0.883 . . . . 25.0 108.631 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.61 -47.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.638 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -56.9 -38.64 73.1 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -37.3 76.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.909 0.777 . . . . 25.0 111.235 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.4 mtm -72.6 -37.56 68.07 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.722 -0.611 . . . . 25.0 110.961 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.6 mm -70.46 -26.58 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.67 -18.25 63.77 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.24 -31.34 68.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.723 0.773 . . . . 25.0 109.934 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.25 167.34 15.74 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.378 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -81.47 72.39 8.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.977 1.103 . . . . 25.0 113.977 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.78 -42.04 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -83.08 -8.39 59.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.8 -63.05 1.22 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 119.879 -1.153 . . . . 25.0 113.847 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -125.87 -10.24 6.64 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.509 0.671 . . . . 25.0 111.211 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.58 24.53 65.0 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.776 -0.725 . . . . 25.0 112.452 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.54 167.98 10.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.136 0.493 . . . . 25.0 111.181 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.73 144.97 35.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -84.19 94.96 8.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.31 -34.86 77.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.301 -0.863 . . . . 25.0 112.788 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.14 -37.97 70.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -88.91 -36.52 15.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.754 0.788 . . . . 25.0 110.151 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -33.26 70.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.4 0.518 . . . . 25.0 112.4 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.7 -39.05 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -81.09 -27.62 35.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.634 0.652 . . . . 25.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.0 ttp -68.31 -37.96 81.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.781 0.324 . . . . 25.0 110.879 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.1 mtt -63.08 -23.08 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.6 t -111.69 7.01 20.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.917 -0.129 . . . . 25.0 110.913 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.73 50.13 18.87 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.012 -0.994 . . . . 25.0 109.67 177.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.5 97.92 3.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 119.294 0.952 . . . . 25.0 109.43 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.07 19.91 19.78 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.665 . . . . 25.0 110.842 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.8 118.96 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.02 0.438 . . . . 25.0 110.019 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -85.1 147.52 26.6 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -71.39 -21.25 62.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.3 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.49 -48.74 78.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.216 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -70.65 -30.55 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.081 -0.387 . . . . 25.0 110.701 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.37 -36.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.39 90.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.192 -0.318 . . . . 25.0 110.591 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.42 -42.25 96.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.175 0.512 . . . . 25.0 109.923 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -63.28 -39.02 93.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.02 -36.84 75.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -41.03 96.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.936 0.789 . . . . 25.0 109.447 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.176 0.513 . . . . 25.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -69.25 -45.89 68.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.421 0.629 . . . . 25.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -70.75 -20.71 62.6 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.245 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -22.62 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.48 -1.67 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -71.61 125.65 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.188 -2.523 . . . . 25.0 104.188 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -97.95 -16.78 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.7 -27.93 4.99 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.97 9.9 44.25 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -75.62 -9.53 58.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.14 27.87 32.48 Favored Glycine 0 C--O 1.237 0.334 0 N-CA-C 110.869 -0.892 . . . . 25.0 110.869 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.3 p -133.8 159.26 41.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 pt -138.37 167.02 22.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.569 -2.012 . . . . 25.0 105.569 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 81.4 p -89.89 162.85 15.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -59.16 -36.16 74.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.234 0.54 . . . . 25.0 111.866 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -68.48 -27.9 66.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.966 -0.458 . . . . 25.0 111.303 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -17.42 59.03 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.206 -0.309 . . . . 25.0 110.726 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -36.09 72.49 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 110.534 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.29 -37.79 93.59 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.634 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.88 66.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.279 -0.542 . . . . 25.0 111.299 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.46 -47.81 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.71 -38.01 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.374 0.607 . . . . 25.0 110.094 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -65.79 -34.17 77.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.558 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -66.73 -32.23 73.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.969 0.35 . . . . 25.0 110.102 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.96 2.02 18.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.323 0.582 . . . . 25.0 110.428 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.11 -4.88 86.02 Favored Glycine 0 C--O 1.234 0.148 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.43 135.01 37.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.5 0.667 . . . . 25.0 110.431 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.62 91.96 48.6 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.37 164.32 35.48 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 118.412 -0.592 . . . . 25.0 111.268 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -73.67 162.28 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.84 -36.67 79.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.121 -0.362 . . . . 25.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.64 71.83 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.813 0.339 . . . . 25.0 110.722 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.26 -34.86 78.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.335 0.588 . . . . 25.0 110.374 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.87 -42.09 97.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.33 -40.87 85.95 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.442 -0.344 . . . . 25.0 111.15 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -60.87 -41.61 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.987 0.358 . . . . 25.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.6 mtm -65.79 -32.94 74.76 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.12 0.486 . . . . 25.0 110.882 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.65 -37.74 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.282 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.13 -40.0 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.61 -9.15 59.27 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 52.8 t -110.37 -42.9 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -89.55 43.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.848 0.832 . . . . 25.0 110.8 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.51 -23.35 67.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.617 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -82.54 -17.21 45.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.396 0.617 . . . . 25.0 111.17 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.72 18.12 73.75 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 115.309 0.883 . . . . 25.0 115.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -73.33 -23.54 60.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 117.235 0.517 . . . . 25.0 111.654 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.71 22.87 59.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 25.0 111.413 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 40.7 p -129.57 155.72 45.34 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.677 0.391 . . . . 25.0 111.974 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -136.89 125.95 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.57 165.61 13.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.869 0.842 . . . . 25.0 109.815 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -61.12 -43.51 90.83 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 115.993 1.849 . . . . 25.0 115.993 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.54 -29.48 44.35 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 112.933 -4.245 . . . . 25.0 114.864 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.54 -36.61 68.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.798 0.808 . . . . 25.0 108.919 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.07 -41.62 98.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.54 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.15 -35.95 80.79 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 122.012 -0.43 . . . . 25.0 111.428 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -60.46 -37.9 82.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.8 tpp -58.85 -44.74 91.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 25.0 110.454 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.6 mmt -70.53 -38.34 74.22 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.549 0.69 . . . . 25.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -26.42 64.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.267 0.84 . . . . 25.0 113.267 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -43.49 -59.77 2.02 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.274 1.212 . . . . 25.0 114.274 -176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -92.92 1.9 57.06 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.622 1.342 . . . . 25.0 114.622 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.6 mtp -88.08 4.11 46.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.163 0.982 . . . . 25.0 112.014 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -106.01 -1.51 23.85 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.892 -1.049 . . . . 25.0 112.971 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -138.37 173.01 12.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.365 0.603 . . . . 25.0 111.599 -175.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.69 77.15 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -50.42 -31.06 13.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.231 1.937 . . . . 25.0 116.231 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.5 t -59.39 -60.12 4.35 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -100.03 -60.82 1.46 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.46 -32.71 74.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 116.433 2.012 . . . . 25.0 116.433 -167.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.38 -45.64 92.25 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.702 -0.799 . . . . 25.0 109.124 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.0 mt -64.92 -38.74 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -63.17 -44.31 95.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.964 -1.017 . . . . 25.0 113.242 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.98 -28.71 20.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 115.32 1.6 . . . . 25.0 115.32 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.08 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -78.62 -15.52 58.43 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.572 -0.705 . . . . 25.0 112.869 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -70.49 -29.9 66.56 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.768 -0.583 . . . . 25.0 112.341 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.65 -9.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -109.52 6.64 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.853 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -76.23 100.24 5.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.9 0.857 . . . . 25.0 109.446 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -63.58 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -119.15 -4.71 10.51 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.56 25.78 73.3 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.047 -1.221 . . . . 25.0 110.047 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -123.35 8.41 9.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.73 3.44 90.34 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.72 134.74 54.85 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.441 1.121 . . . . 25.0 112.821 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.71 165.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.587 -1.634 . . . . 25.0 106.587 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 47.9 t -79.09 156.91 28.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.42 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.517 0.675 . . . . 25.0 110.812 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.5 87.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.153 0.501 . . . . 25.0 110.507 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.78 -37.88 64.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.17 -47.63 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -37.02 76.08 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 121.004 -0.278 . . . . 25.0 110.457 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -60.32 -46.39 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.793 -0.363 . . . . 25.0 110.953 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.57 -44.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -41.07 86.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.259 0.466 . . . . 25.0 112.259 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.2 p -75.94 -8.28 56.56 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -98.04 -29.13 13.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 25.0 110.107 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.6 tp -94.61 -33.17 13.1 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.95 141.38 23.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.741 1.056 . . . . 25.0 115.741 -175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.33 -3.4 57.45 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.047 0.451 . . . . 25.0 111.898 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.34 119.78 10.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.04 -8.09 58.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.993 1.108 . . . . 25.0 113.993 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -118.98 136.04 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.325 -0.25 . . . . 25.0 110.325 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.55 -41.21 97.04 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -59.72 -36.1 75.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -71.02 -22.35 62.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.717 -0.614 . . . . 25.0 111.424 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -84.07 -44.39 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.666 -1.605 . . . . 25.0 106.666 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.7 -34.42 77.82 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.714 -1.13 . . . . 25.0 111.97 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -50.6 -49.34 56.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.122 0.487 . . . . 25.0 111.358 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.3 ttp -65.08 -41.18 95.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.601 0.715 . . . . 25.0 111.169 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.55 -39.62 78.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.133 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -62.76 -24.9 67.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.33 -32.29 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.64 -40.37 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 105.34 11.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.087 0.946 . . . . 25.0 112.47 -173.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 pt -75.62 114.56 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.132 -0.94 . . . . 25.0 113.436 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.63 -18.06 50.99 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.699 -0.682 . . . . 25.0 112.025 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.9 85.02 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.216 -0.516 . . . . 25.0 112.858 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 -27.61 7.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.816 0.341 . . . . 25.0 110.919 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.19 -5.95 24.22 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 116.598 -0.274 . . . . 25.0 113.333 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 39.5 mt-30 -117.95 149.73 40.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.561 0.745 . . . . 25.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.05 150.53 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 25.0 111.488 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.08 100.04 12.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.403 -1.702 . . . . 25.0 106.403 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -62.92 -15.53 55.79 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.14 -34.98 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.977 -0.452 . . . . 25.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -73.56 -28.39 61.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -35.42 74.74 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.32 -34.43 77.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 25.0 111.102 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.7 tpp -66.97 -33.47 75.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.878 0.371 . . . . 25.0 111.37 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.5 -16.89 60.83 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.163 -0.336 . . . . 25.0 110.866 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 59.5 p -108.03 24.88 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.403 0.62 . . . . 25.0 109.735 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.58 -178.56 1.83 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.629 0.728 . . . . 25.0 111.649 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.6 pttt . . . . . 0 C--O 1.247 0.96 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 -177.653 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 -43.3 92.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 58.93 13.8 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.146 1.536 . . . . 25.0 115.146 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tt -69.46 128.83 37.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -135.58 153.25 51.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.935 0.398 . . . . 25.0 110.418 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.85 -20.07 63.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.365 0.602 . . . . 25.0 109.56 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.13 -31.72 71.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.747 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -66.83 -38.06 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.6 mt -66.72 -38.09 80.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.82 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.384 -0.371 . . . . 25.0 110.029 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.06 -41.52 96.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.385 0.612 . . . . 25.0 110.084 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -65.54 -34.71 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.87 -0.519 . . . . 25.0 110.623 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -66.14 -39.5 89.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.494 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -67.16 -39.17 86.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -31.84 73.17 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.939 0.399 . . . . 25.0 111.315 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -71.59 -44.79 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -65.87 -14.34 61.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.64 -25.13 66.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.458 . . . . 25.0 111.407 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -110.54 -2.53 16.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -78.88 102.77 8.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.35 1.071 . . . . 25.0 109.145 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -69.8 -24.66 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.54 -1.209 . . . . 25.0 113.771 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.34 -27.07 9.24 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.66 59.2 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.58 0.992 . . . . 25.0 115.58 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.68 -4.71 58.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.568 0.684 . . . . 25.0 112.18 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 27.96 12.14 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 112.01 -0.436 . . . . 25.0 112.01 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -132.68 157.06 45.81 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 35' ' ' VAL . 36.4 pt -136.01 167.91 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 p -84.35 166.32 17.5 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -56.56 -38.81 72.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 25.0 110.717 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -63.52 -37.11 86.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 25.0 111.755 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -12.85 61.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -39.01 70.62 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.152 0.501 . . . . 25.0 110.844 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.77 95.07 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 120.611 -0.804 . . . . 25.0 111.995 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -39.96 70.11 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.65 -0.324 . . . . 25.0 111.831 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG21 HD13 ' A' ' 27' ' ' ILE . 56.2 t -64.84 -45.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ttt -60.26 -39.05 85.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -67.23 -32.32 73.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -73.85 -23.17 59.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.709 0.686 . . . . 25.0 109.793 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.36 -7.51 55.14 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.84 -4.92 36.52 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 117.021 1.569 . . . . 25.0 117.021 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -144.97 123.77 12.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.978 1.389 . . . . 25.0 111.924 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -106.42 145.49 31.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 121.894 -0.504 . . . . 25.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.07 171.64 14.95 Favored 'Trans proline' 0 C--O 1.24 0.607 0 N-CA-C 110.236 -0.717 . . . . 25.0 110.236 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -70.86 149.3 46.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.078 -2.193 . . . . 25.0 105.078 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.76 -28.06 68.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.53 95.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.94 0.4 . . . . 25.0 110.625 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -77.34 -26.97 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.061 0.457 . . . . 25.0 110.012 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.07 -43.42 95.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.47 -37.29 82.69 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.82 -44.68 90.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.012 0.434 . . . . 25.0 111.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.9 mtm -68.49 -35.54 77.66 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.434 0.635 . . . . 25.0 111.185 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.11 -34.24 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.156 -0.474 . . . . 25.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.61 -34.52 51.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.201 -0.312 . . . . 25.0 111.178 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.66 -39.16 90.38 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.753 0.706 . . . . 25.0 110.814 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -81.4 -37.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.456 0.646 . . . . 25.0 111.249 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -72.39 -18.42 61.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.097 -0.377 . . . . 25.0 110.49 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.42 79.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.71 -25.5 49.42 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.38 71.49 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.426 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -68.91 -33.94 74.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.02 -9.89 3.58 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 116.568 1.387 . . . . 25.0 116.568 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -132.23 163.96 27.44 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.332 1.066 . . . . 25.0 110.926 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -135.06 124.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 164.5 20.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.344 0.592 . . . . 25.0 109.752 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.28 -47.01 99.59 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.69 -33.81 85.2 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 114.213 -3.392 . . . . 25.0 114.571 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -72.7 -32.67 65.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.969 -0.457 . . . . 25.0 110.452 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.65 -43.14 99.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.18 -39.35 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.468 . . . . 25.0 110.183 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.4 m -60.9 -40.1 91.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.768 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtt -58.8 -35.01 72.14 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.2 mmt -63.48 -45.5 90.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.103 0.477 . . . . 25.0 109.758 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -55.56 -40.18 71.61 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.162 0.585 . . . . 25.0 112.337 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -71.13 -24.37 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -49.16 4.19 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -174.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -163.61 170.6 16.93 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -73.16 91.57 1.65 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.589 -1.634 . . . . 25.0 106.589 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -62.63 -15.27 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -95.82 -31.74 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.604 2.076 . . . . 25.0 116.604 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -95.08 -66.81 0.89 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.26 -27.61 17.51 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.166 -0.959 . . . . 25.0 111.87 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -62.23 -19.22 62.96 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -36.21 74.95 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.649 0.659 . . . . 25.0 109.592 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.9 mt -84.34 -39.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.527 0.68 . . . . 25.0 109.309 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -71.72 -12.5 61.35 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 114.041 1.126 . . . . 25.0 114.041 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.57 -40.9 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.92 67.12 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -95.93 -32.04 12.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 25.0 110.256 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.73 -35.81 79.14 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.115 0.566 . . . . 25.0 111.327 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.71 -18.52 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 120.772 0.32 . . . . 25.0 111.447 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CD1' HG22 ' A' ' 108' ' ' VAL . 81.7 m-85 -106.25 5.98 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.979 -0.451 . . . . 25.0 111.015 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -82.43 88.03 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.03 -44.6 4.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 116.747 2.129 . . . . 25.0 116.747 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.05 8.31 10.4 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.48 56.64 Favored Glycine 0 N--CA 1.463 0.463 0 C-N-CA 120.744 -0.741 . . . . 25.0 112.196 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -77.25 -28.83 53.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.23 -9.09 76.49 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 122.225 0.903 . . . . 25.0 111.142 -173.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -138.9 143.67 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 pt -137.49 166.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 45.0 t -67.39 151.8 46.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.009 -0.676 . . . . 25.0 110.063 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.423 0.63 . . . . 25.0 110.618 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.05 73.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.383 0.611 . . . . 25.0 110.101 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.54 -44.07 83.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.17 -39.24 92.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.11 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -65.5 -29.37 70.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.789 -0.569 . . . . 25.0 110.428 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -69.3 -37.98 78.07 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.768 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 92' ' ' PHE . 28.4 t -63.99 -38.96 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.2 tpp -56.95 -46.71 81.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 p -72.65 -18.6 61.55 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -73.66 -29.02 62.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.73 -32.44 21.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 25.0 111.634 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.83 -172.44 36.38 Favored Glycine 0 C--O 1.224 -0.493 0 C-N-CA 120.629 -0.796 . . . . 25.0 114.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -109.46 159.93 16.63 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -123.91 165.59 17.12 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.82 -49.05 76.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.1 t -123.65 149.3 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.387 -0.227 . . . . 25.0 110.387 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.06 -22.07 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -56.29 -36.8 69.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.993 0.425 . . . . 25.0 111.3 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.605 0.716 . . . . 25.0 110.492 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -73.39 -38.74 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -46.4 86.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.79 -36.87 76.07 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.927 -0.709 . . . . 25.0 111.264 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.1 ttp -67.38 -38.79 85.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.633 0.254 . . . . 25.0 111.029 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.43 -42.5 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.04 -37.51 77.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.18 -30.18 69.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.99 0.424 . . . . 25.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.99 1.12 56.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.82 1.415 . . . . 25.0 114.82 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.93 116.71 9.71 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 85.9 mt -123.27 -52.32 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.67 139.18 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.344 0.593 . . . . 25.0 111.697 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.06 -17.28 63.23 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.727 -0.669 . . . . 25.0 113.678 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.31 8.08 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.082 0.468 . . . . 25.0 110.514 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.67 39.06 14.92 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.922 -0.656 . . . . 25.0 113.25 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 38.5 mt-30 -117.94 151.39 37.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.357 0.598 . . . . 25.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.53 146.91 33.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.96 100.05 10.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -63.87 -21.13 66.31 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.929 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.68 -44.52 90.24 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.061 0.393 . . . . 25.0 112.061 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -87.83 -23.64 23.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.73 -43.23 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.89 -38.67 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.08 -34.68 76.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.997 -0.439 . . . . 25.0 110.725 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.5 tpp -62.49 -33.66 75.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.253 0.549 . . . . 25.0 110.983 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.6 mtt -71.91 -9.68 58.69 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.786 -0.571 . . . . 25.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t -128.51 35.58 4.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.06 159.08 6.06 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.52 -0.763 . . . . 25.0 110.665 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.423 -0.799 . . . . 25.0 110.25 -176.121 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.87 -24.92 66.97 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.877 0.846 . . . . 25.0 109.419 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -133.54 171.99 13.35 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 105.684 -1.969 . . . . 25.0 105.684 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.18 154.96 33.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.395 0.434 . . . . 25.0 111.466 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -130.8 164.22 25.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.3 -17.47 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.85 0.357 . . . . 25.0 110.947 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.37 -41.9 90.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.54 -30.17 59.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.066 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.66 -34.69 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.37 87.39 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.15 -0.344 . . . . 25.0 110.367 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.21 -42.46 98.64 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -65.0 -40.36 94.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -62.3 -47.22 85.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.7 -35.48 78.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.109 -0.636 . . . . 25.0 110.59 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.53 77.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.043 0.449 . . . . 25.0 110.368 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -70.14 -46.66 64.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.392 0.615 . . . . 25.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -68.7 -14.9 63.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.06 -32.12 71.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -104.25 -26.24 12.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.777 -0.647 . . . . 25.0 112.322 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -78.21 89.67 4.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -98.05 -2.7 39.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.488 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.27 -27.9 12.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.11 0.481 . . . . 25.0 110.302 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.27 17.25 34.9 Favored Glycine 0 C--O 1.23 -0.129 0 CA-C-N 115.999 -0.546 . . . . 25.0 114.399 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -77.16 -13.86 59.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 16.57 68.4 Favored Glycine 0 C--O 1.239 0.431 0 C-N-CA 121.265 -0.493 . . . . 25.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -132.16 163.62 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.19 0.519 . . . . 25.0 111.779 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -135.65 170.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 103.669 -2.715 . . . . 25.0 103.669 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -87.4 161.9 17.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 p -60.05 -29.27 68.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.783 0.802 . . . . 25.0 110.662 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -83.12 -19.77 36.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.476 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.34 -9.5 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.55 -42.09 77.94 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.91 -38.88 96.06 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.705 -0.679 . . . . 25.0 112.056 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -40.53 80.29 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.179 -0.6 . . . . 25.0 111.707 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.83 -45.91 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.0 ttm -60.91 -39.98 91.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.037 0.446 . . . . 25.0 111.076 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.39 -22.8 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -74.56 -23.55 58.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.86 6.21 36.61 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.593 0.711 . . . . 25.0 109.097 175.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -4.98 83.44 Favored Glycine 0 N--CA 1.454 -0.117 0 N-CA-C 116.198 1.239 . . . . 25.0 116.198 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.49 123.09 36.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.569 1.185 . . . . 25.0 108.717 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.99 103.64 50.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.14 162.95 31.13 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 116.982 -1.545 . . . . 25.0 111.142 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 145.91 51.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 173.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.58 -22.06 66.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -50.88 62.4 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.18 -40.0 94.57 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.47 -42.91 99.5 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.061 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.07 -43.23 83.15 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.959 -0.296 . . . . 25.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -59.33 -42.57 91.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.947 0.403 . . . . 25.0 110.149 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtt -65.91 -31.96 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.173 -0.33 . . . . 25.0 111.688 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.86 -40.65 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.13 -40.9 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.279 0.49 . . . . 25.0 111.533 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -57.37 -35.8 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.46 . . . . 25.0 112.243 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.1 t -95.56 -32.25 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.156 0.503 . . . . 25.0 112.012 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.92 -13.84 62.67 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.463 -0.773 . . . . 25.0 108.969 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.41 78.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.475 0.31 . . . . 25.0 110.828 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.89 -25.25 61.0 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.712 1.244 . . . . 25.0 108.575 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.21 5.99 88.42 Favored Glycine 0 C--N 1.322 -0.244 0 CA-C-N 114.092 -1.413 . . . . 25.0 115.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.29 -28.82 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.01 0.905 . . . . 25.0 109.859 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.04 25.61 69.6 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.41 0.924 . . . . 25.0 115.41 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -127.92 152.25 48.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.37 0.585 . . . . 25.0 110.593 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.2 mt -131.62 125.46 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 163.77 21.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.151 0.5 . . . . 25.0 110.36 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.68 -44.89 99.55 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.34 -33.49 47.73 Favored 'Trans proline' 0 C--N 1.356 0.924 1 C-N-CA 112.104 -4.798 . . . . 25.0 114.264 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.61 -25.53 59.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.945 -0.472 . . . . 25.0 111.569 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -55.2 -40.74 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.04 -37.98 45.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.015 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -59.55 -42.33 92.14 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 25.0 111.075 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -60.81 -22.74 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 mmt -67.79 -20.61 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.808 -0.558 . . . . 25.0 111.295 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.91 92.83 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -65.63 -38.24 88.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -70.55 -5.55 29.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.3 ttt -87.75 -27.71 22.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.31 111.05 4.53 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.169 -0.332 . . . . 25.0 111.156 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -94.7 159.89 14.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 25.0 110.267 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -160.97 133.56 6.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 103.153 -2.906 . . . . 25.0 103.153 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -86.02 -59.42 2.3 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -98.29 -66.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 119.852 3.279 . . . . 25.0 119.852 -175.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.51 -55.33 34.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 119.322 3.082 . . . . 25.0 119.322 -162.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.77 -37.65 70.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.08 -54.8 41.65 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.55 -43.33 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.955 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.56 -33.05 70.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.255 -0.978 . . . . 25.0 112.606 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.89 -41.59 78.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -36.26 69.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.03 0.443 . . . . 25.0 110.74 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -79.27 -21.21 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -69.51 -14.92 63.12 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.36 -18.89 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 119.685 -0.806 . . . . 25.0 109.612 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -98.08 -32.73 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.53 67.6 7.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.832 0.825 . . . . 25.0 109.345 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.14 70.26 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.218 -0.901 . . . . 25.0 113.426 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -95.09 -7.94 38.02 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.653 0.612 . . . . 25.0 112.653 -175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.65 26.52 67.24 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.893 -0.67 . . . . 25.0 113.858 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.04 -9.49 39.54 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.33 9.78 85.49 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.8 -0.714 . . . . 25.0 112.716 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -121.37 138.77 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.902 0.481 . . . . 25.0 110.434 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.2 pt -137.66 164.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.046 -1.835 . . . . 25.0 106.046 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -70.37 150.3 46.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -31.96 69.46 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.9 73.2 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.011 0.434 . . . . 25.0 111.373 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.06 -33.58 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.4 -42.9 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.12 -39.71 83.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -61.38 -45.66 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 119.735 -0.174 . . . . 25.0 110.962 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.84 -46.34 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.49 -44.61 95.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 t -76.1 -8.78 57.78 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -91.07 -25.77 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.91 0.386 . . . . 25.0 110.025 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.22 -15.67 28.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.41 0.522 . . . . 25.0 112.41 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.11 162.35 14.19 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 111.835 -0.506 . . . . 25.0 111.835 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -120.82 145.84 47.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 tttt 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.53 145.04 56.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -93.95 157.93 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.45 -38.47 89.89 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.942 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.13 -35.2 79.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 25.0 111.19 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.75 -37.93 85.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.4 -36.38 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.34 -45.32 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.404 0.621 . . . . 25.0 110.586 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.26 -38.23 76.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.302 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 tpt -68.99 -42.59 76.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.264 0.554 . . . . 25.0 111.078 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -73.53 -40.29 55.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -175.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -60.54 -21.07 62.12 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.9 -23.52 66.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.777 0.322 . . . . 25.0 111.814 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -127.63 16.97 6.96 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.32 135.93 46.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.0 mt -90.6 -24.12 5.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.843 -0.617 . . . . 25.0 109.795 -176.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.32 20.78 4.88 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.91 0.884 . . . . 25.0 113.229 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -59.97 1.37 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 120.506 -0.854 . . . . 25.0 112.766 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -122.46 11.72 9.99 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.598 0.713 . . . . 25.0 109.656 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.38 19.67 77.74 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.02 154.61 31.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.024 0.53 . . . . 25.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.17 155.96 38.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.65 99.79 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -72.08 -24.92 61.58 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.704 1.002 . . . . 25.0 113.704 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -35.24 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.32 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.79 -26.78 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.999 0.428 . . . . 25.0 109.943 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.23 -38.14 84.74 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.08 -43.76 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -62.83 -39.36 94.07 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.966 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.02 -43.1 99.56 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.608 0.363 . . . . 25.0 111.127 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.8 mtm -78.07 -9.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.513 -0.312 . . . . 25.0 111.619 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.7 p 57.36 26.78 12.89 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.856 1.263 . . . . 25.0 109.906 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.63 141.8 44.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.481 -1.236 . . . . 25.0 107.949 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.646 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -72.64 159.88 33.15 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -112.1 16.59 20.12 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.235 0.541 . . . . 25.0 111.352 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -100.89 147.96 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -119.46 157.19 28.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -67.53 -22.85 65.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.805 0.336 . . . . 25.0 110.097 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.31 -44.05 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.673 0.749 . . . . 25.0 109.437 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -74.3 -31.16 62.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 25.0 109.749 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.77 -34.62 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.42 92.96 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.016 -0.427 . . . . 25.0 109.867 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -64.87 -37.82 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.929 -0.482 . . . . 25.0 109.949 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -65.56 -31.87 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.028 -0.42 . . . . 25.0 110.365 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.96 -40.92 83.11 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.118 -0.364 . . . . 25.0 110.049 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -66.77 -36.13 81.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.97 86.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.877 -0.515 . . . . 25.0 110.149 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -69.52 -45.07 69.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.389 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -67.54 -23.32 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.59 -23.89 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.192 -0.317 . . . . 25.0 111.143 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -106.46 -16.24 14.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.885 0.328 . . . . 25.0 111.885 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -82.15 58.95 4.21 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.344 -1.298 . . . . 25.0 112.022 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -77.85 -27.94 49.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.294 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.17 18.02 41.08 Favored Glycine 0 CA--C 1.517 0.169 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 25.0 110.943 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.7 18.92 62.71 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 111.09 -0.804 . . . . 25.0 111.09 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -136.17 164.64 27.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.072 0.463 . . . . 25.0 111.627 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -134.38 165.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 103.897 -2.631 . . . . 25.0 103.897 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -85.08 162.6 19.23 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.329 -0.857 . . . . 25.0 108.731 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.4 -22.53 61.54 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.524 0.565 . . . . 25.0 112.524 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -87.86 -29.8 20.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.092 -0.38 . . . . 25.0 111.092 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.68 -13.11 60.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.056 0.455 . . . . 25.0 111.098 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.54 -41.6 66.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 25.0 110.069 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.27 -40.08 97.61 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.697 -0.763 . . . . 25.0 112.18 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -40.11 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.516 -0.402 . . . . 25.0 111.383 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mtp -64.22 -38.39 90.88 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.459 -0.776 . . . . 25.0 111.09 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -72.7 -12.53 61.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 t -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.12 4.04 43.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.046 0.451 . . . . 25.0 109.949 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.55 88.66 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.46 -0.4 . . . . 25.0 113.684 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -85.0 127.62 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.6 0.7 . . . . 25.0 110.246 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -88.04 108.41 21.24 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.73 152.73 47.93 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 114.505 -3.197 . . . . 25.0 110.233 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.99 139.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.919 -1.882 . . . . 25.0 105.919 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.53 -27.35 66.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.772 -0.58 . . . . 25.0 111.692 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.06 92.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.65 -42.56 91.28 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.833 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -41.78 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.245 -0.182 . . . . 25.0 110.677 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.25 -51.87 66.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -71.49 -32.03 67.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.7 mtt -62.34 -36.73 83.1 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -43.21 93.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.23 -38.92 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 122.181 -0.325 . . . . 25.0 111.646 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.74 -34.32 76.97 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.029 -0.419 . . . . 25.0 111.351 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.7 t -84.78 -38.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.364 0.602 . . . . 25.0 111.315 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -66.57 -7.87 23.1 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.936 -0.477 . . . . 25.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.46 80.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.294 0.238 . . . . 25.0 110.452 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -87.22 -27.03 23.22 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 8.2 84.6 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 114.855 -1.066 . . . . 25.0 114.58 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -68.56 -28.86 67.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 117.578 0.689 . . . . 25.0 111.899 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 2.41 68.81 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 p -126.05 163.86 22.13 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.7 mt -127.97 113.49 31.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 105.234 -2.135 . . . . 25.0 105.234 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.71 172.22 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.04 -45.76 91.52 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.46 -24.18 42.9 Favored 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 112.733 -4.378 . . . . 25.0 113.95 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.21 -36.94 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.24 -44.47 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.58 -37.02 85.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.215 -0.303 . . . . 25.0 110.862 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -63.61 -40.28 96.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.5 tpp -66.0 -36.31 82.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.206 -0.309 . . . . 25.0 111.227 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.68 -37.42 79.58 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.667 -0.646 . . . . 25.0 109.358 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.71 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.572 -0.286 . . . . 25.0 110.812 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.57 -33.58 71.62 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -82.7 1.03 40.63 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 tpt -76.63 -19.26 58.0 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 106.189 -1.782 . . . . 25.0 106.189 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -90.32 152.82 20.86 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.617 -1.623 . . . . 25.0 106.617 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.12 148.3 27.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.45 125.47 15.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.462 0.648 . . . . 25.0 109.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.94 -34.09 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.005 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -59.09 -25.01 63.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.548 -0.297 . . . . 25.0 111.632 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.29 -31.86 13.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -89.35 -33.27 16.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -59.08 -39.46 82.23 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.743 0.702 . . . . 25.0 111.77 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.38 -40.42 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.758 0.789 . . . . 25.0 109.555 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -73.16 -31.45 64.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.05 -36.65 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.79 64.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.354 0.501 . . . . 25.0 112.354 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -95.85 -27.63 15.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.24 0.459 . . . . 25.0 112.24 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -61.57 -31.97 72.04 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.69 -9.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -110.16 3.75 20.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.438 0.295 . . . . 25.0 111.506 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.6 121.21 11.03 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.997 0.427 . . . . 25.0 111.7 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -37.63 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 115.796 1.776 . . . . 25.0 115.796 -173.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.95 4.71 5.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.482 0.658 . . . . 25.0 110.8 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.3 24.83 74.53 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.567 -1.813 . . . . 25.0 108.567 -174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -115.47 12.79 16.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -173.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.39 13.29 63.76 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.65 140.17 53.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 pt -139.45 161.53 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 t -71.7 153.32 42.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.533 -0.73 . . . . 25.0 109.838 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.74 68.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.357 0.599 . . . . 25.0 109.711 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.01 78.23 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.318 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.79 -34.75 72.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.31 -49.87 76.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -65.68 -31.72 72.88 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.682 -0.407 . . . . 25.0 110.854 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -61.73 -45.32 94.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.163 -0.215 . . . . 25.0 110.575 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.04 -45.5 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.45 -42.22 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 t -76.81 -15.26 59.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.629 -0.669 . . . . 25.0 111.882 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.52 -25.01 59.06 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.268 -0.27 . . . . 25.0 110.953 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.84 51.99 1.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.075 0.94 . . . . 25.0 110.378 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.31 174.52 35.5 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.482 -1.047 . . . . 25.0 110.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -150.94 168.32 24.87 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 63.94 -27.08 0.08 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 118.046 2.61 . . . . 25.0 118.046 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.3 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 25.0 111.499 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -112.75 160.96 17.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.52 -48.52 80.57 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -60.3 -34.14 73.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.318 0.58 . . . . 25.0 112.276 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.66 -35.38 79.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.822 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.42 -36.01 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.71 77.63 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 4.7 tp10 -55.9 -38.33 70.07 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.556 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -29.2 37.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.077 0.465 . . . . 25.0 111.045 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.1 -38.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 63.8 mtt180 -61.21 -16.88 49.74 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -97.89 -31.39 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.93 2.88 35.75 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 117.603 2.446 . . . . 25.0 117.603 -173.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.79 161.89 13.37 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 pt -125.27 124.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 25.0 108.976 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -61.53 -24.06 66.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.29 73.34 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.218 -0.515 . . . . 25.0 113.704 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.45 -25.4 5.6 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.44 21.6 78.6 Favored Glycine 0 C--O 1.246 0.848 0 N-CA-C 109.478 -1.449 . . . . 25.0 109.478 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -117.99 158.18 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.552 -0.824 . . . . 25.0 112.092 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.8 m -116.81 156.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -85.32 138.59 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 103.257 -2.868 . . . . 25.0 103.257 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -99.89 -5.69 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.321 -0.952 . . . . 25.0 112.641 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.64 -46.53 78.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.395 -0.595 . . . . 25.0 109.395 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -69.19 -30.77 69.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.16 0.505 . . . . 25.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.38 -38.09 81.02 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.774 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.83 -42.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -60.57 -42.74 97.27 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.991 -0.284 . . . . 25.0 110.493 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 36.8 tpp -60.09 -31.19 69.8 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.189 -0.319 . . . . 25.0 111.763 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.33 -6.3 50.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.5 t -145.77 14.4 1.36 Allowed 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.29 -165.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 C--O 1.246 0.896 0 O-C-N 124.916 1.385 . . . . 25.0 110.11 -178.345 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.243 -0.281 . . . . 25.0 110.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.39 -18.88 63.81 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.927 1.455 . . . . 25.0 114.927 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -82.34 50.83 1.69 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.74 148.6 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 p -130.67 161.3 31.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.007 0.432 . . . . 25.0 110.975 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.07 -23.24 60.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -63.23 -36.17 82.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.162 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -69.39 -18.5 63.78 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.657 -0.417 . . . . 25.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -67.11 -34.14 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.93 80.83 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.51 -37.87 88.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.318 0.58 . . . . 25.0 110.2 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.9 -34.02 77.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -68.89 -42.12 77.36 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.38 -37.96 88.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.336 -0.546 . . . . 25.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.126 0.489 . . . . 25.0 110.534 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.02 -46.21 58.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.179 0.514 . . . . 25.0 109.795 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -67.6 -16.84 64.38 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.95 -29.19 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.827 0.822 . . . . 25.0 108.836 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -106.72 -4.19 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -101.78 104.2 14.97 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -97.88 -4.39 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.902 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -108.3 -28.0 9.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.88 9.7 55.92 Favored Glycine 0 C--N 1.322 -0.239 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.685 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -74.27 -12.58 60.59 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 117.316 0.558 . . . . 25.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 23.73 58.06 Favored Glycine 0 C--O 1.235 0.216 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.215 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.6 p -131.64 160.46 35.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 25.0 111.528 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.96 169.83 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 175.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 p -87.1 165.35 15.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 p -60.2 -26.83 66.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.531 0.682 . . . . 25.0 110.991 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 4.1 mptt -73.92 -37.19 64.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.05 -18.04 62.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.46 -43.04 75.12 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.38 -36.96 93.85 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.459 -0.877 . . . . 25.0 111.547 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -35.0 76.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.06 -46.15 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.9 mmt -60.48 -44.65 95.69 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -59.28 -35.37 73.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.781 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -69.17 -25.15 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.3 -0.25 . . . . 25.0 111.326 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.49 0.48 56.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.128 0.489 . . . . 25.0 110.129 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.57 0.28 88.06 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.893 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.12 132.09 34.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.966 0.413 . . . . 25.0 110.518 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.23 92.27 18.38 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.319 -0.4 . . . . 25.0 110.267 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.56 153.58 73.33 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 115.373 -2.618 . . . . 25.0 110.754 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.91 139.58 50.76 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 174.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.36 -27.51 68.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.9 87.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.031 -0.418 . . . . 25.0 110.405 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.93 -35.68 72.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.42 -35.54 80.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.57 -44.72 93.28 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.416 -0.326 . . . . 25.0 110.127 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.86 -41.9 92.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.209 0.458 . . . . 25.0 110.502 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.5 mtt -61.27 -34.19 74.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 111.403 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.06 -45.26 22.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 mm -60.85 -39.95 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.51 -27.11 68.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.511 -0.876 . . . . 25.0 111.71 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.08 -33.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.606 0.717 . . . . 25.0 110.136 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.01 -26.2 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.81 70.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.778 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.57 -24.06 60.04 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.597 1.189 . . . . 25.0 108.95 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.95 8.93 87.25 Favored Glycine 0 N--CA 1.458 0.156 0 CA-C-N 113.359 -1.746 . . . . 25.0 115.814 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -88.27 -28.94 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.48 25.24 60.43 Favored Glycine 0 C--O 1.243 0.667 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -128.25 154.11 46.23 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.291 0.637 . . . . 25.0 109.629 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -130.95 126.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 160.76 20.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.982 0.42 . . . . 25.0 110.2 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.77 -46.91 99.68 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.78 -32.88 55.6 Favored 'Trans proline' 0 C--N 1.357 0.978 1 C-N-CA 112.709 -4.394 . . . . 25.0 114.714 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -22.98 51.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.535 -0.728 . . . . 25.0 111.279 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -39.68 94.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 172.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -41.82 75.35 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.188 -0.32 . . . . 25.0 110.207 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -58.72 -38.19 77.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.948 0.404 . . . . 25.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 tpp -59.83 -42.57 93.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.014 0.435 . . . . 25.0 110.625 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.1 mtm -76.42 -25.66 54.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.09 64.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.37 0.605 . . . . 25.0 110.663 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.26 -29.31 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.99 -0.444 . . . . 25.0 110.926 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -92.92 1.78 57.12 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 123.592 0.757 . . . . 25.0 112.848 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.7 ttt -75.58 6.52 4.67 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.818 0.818 . . . . 25.0 112.866 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -88.45 100.74 13.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.176 -0.92 . . . . 25.0 111.506 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.75 147.62 52.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 m -132.01 117.8 18.87 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.959 0.409 . . . . 25.0 110.685 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.0 -61.2 2.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 117.359 2.355 . . . . 25.0 117.359 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.4 p -95.01 -66.8 0.89 Allowed 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 120.658 3.577 . . . . 25.0 120.658 -171.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -94.7 -66.7 0.9 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 119.368 3.099 . . . . 25.0 119.368 -167.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.71 -35.2 77.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 116.282 1.956 . . . . 25.0 116.282 -168.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.08 -46.19 88.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.796 0.725 . . . . 25.0 111.465 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.01 -41.66 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -65.8 -36.27 83.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.001 -0.545 . . . . 25.0 112.061 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.54 -32.88 74.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.216 -0.302 . . . . 25.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.1 -35.92 70.01 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.609 0.242 . . . . 25.0 110.832 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -86.52 -37.84 17.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.067 0.46 . . . . 25.0 110.597 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -58.55 -33.11 69.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.69 -17.93 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 O-C-N 121.78 -0.575 . . . . 25.0 111.517 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.38 -1.45 35.99 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.95 -0.469 . . . . 25.0 111.473 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.96 74.91 7.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.494 1.14 . . . . 25.0 109.131 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -69.89 -23.74 63.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.662 -175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -93.25 -11.75 31.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.918 0.389 . . . . 25.0 111.019 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.26 27.61 72.6 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 116.267 -0.424 . . . . 25.0 112.136 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -123.21 8.28 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 -174.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.55 5.85 84.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.97 -0.633 . . . . 25.0 114.405 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -115.51 140.19 49.38 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.67 0.735 . . . . 25.0 111.333 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.88 160.87 36.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 104.861 -2.274 . . . . 25.0 104.861 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 43.9 t -73.7 152.99 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.11 -25.27 65.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.949 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.5 96.34 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -74.36 -34.24 63.31 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.909 -0.774 . . . . 25.0 108.909 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -66.0 -31.24 72.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.701 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -66.76 -36.82 83.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.191 -0.318 . . . . 25.0 110.809 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.49 -45.87 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.4 -38.91 88.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.948 0.88 . . . . 25.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -17.26 62.43 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.165 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -86.91 -40.72 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.34 -31.51 72.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.956 0.408 . . . . 25.0 111.086 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.18 21.95 21.26 Favored Glycine 0 C--O 1.23 -0.148 0 C-N-CA 120.798 -0.715 . . . . 25.0 114.862 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.67 81.85 1.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -140.72 41.87 1.85 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -171.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.52 -55.28 16.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.33 157.25 28.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 169.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.32 -23.11 66.31 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.94 0.876 . . . . 25.0 109.004 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.91 -22.74 65.06 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.929 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.14 -38.12 89.93 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.639 0.733 . . . . 25.0 109.607 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.57 -42.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 122.054 0.93 . . . . 25.0 109.723 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -44.02 61.5 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -173.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.42 -39.39 90.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.094 -0.379 . . . . 25.0 111.356 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.8 mmm -62.0 -27.14 68.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 -37.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.28 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.91 -23.09 66.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -72.67 -24.91 61.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.507 0.67 . . . . 25.0 111.44 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.59 168.94 15.91 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.605 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.2 163.66 27.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.835 -0.62 . . . . 25.0 110.636 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 pt -77.23 164.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 114.989 1.477 . . . . 25.0 114.989 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.49 124.73 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.12 -0.946 . . . . 25.0 109.977 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.32 -59.94 1.51 Allowed Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -107.0 12.06 29.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.677 0.751 . . . . 25.0 109.495 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.64 -2.34 82.45 Favored Glycine 0 C--O 1.236 0.266 0 CA-C-N 115.869 -0.605 . . . . 25.0 112.5 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 83.5 mt-30 -117.68 149.8 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.019 0.527 . . . . 25.0 111.414 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -133.37 155.48 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -92.26 100.96 13.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.153 0.978 . . . . 25.0 111.625 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -62.03 -23.91 66.74 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.13 -35.57 81.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 25.0 111.652 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -88.97 -26.75 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.656 -0.653 . . . . 25.0 109.46 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -66.89 -42.72 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.714 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.68 -31.55 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -72.23 -39.86 68.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.425 -0.584 . . . . 25.0 109.425 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.8 tpp -65.15 -34.54 78.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.819 0.343 . . . . 25.0 111.111 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.79 -28.23 68.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t -105.66 1.44 27.26 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.31 102.83 9.77 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.076 -0.39 . . . . 25.0 110.15 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 116.181 -1.866 . . . . 25.0 106.484 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 110.815 -0.069 . . . . 25.0 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.47 33.2 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.182 1.179 . . . . 25.0 114.182 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -88.13 80.92 7.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -129.17 159.77 34.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.543 -0.753 . . . . 25.0 109.013 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.8 p -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 25.0 111.464 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.36 -16.87 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.491 . . . . 25.0 111.103 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.79 -41.02 98.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.58 -32.44 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.679 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.41 -38.26 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.63 96.15 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -61.73 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.309 0.576 . . . . 25.0 109.933 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.1 -36.39 83.86 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.092 -0.38 . . . . 25.0 110.025 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -40.94 95.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.439 -0.163 . . . . 25.0 111.258 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.3 -40.78 86.09 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.63 -0.828 . . . . 25.0 110.196 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -35.39 80.92 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.226 0.536 . . . . 25.0 110.979 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.58 -46.01 70.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.223 0.535 . . . . 25.0 110.055 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -68.52 -15.08 63.42 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -22.34 66.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.8 m-85 -113.93 -22.97 9.84 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -77.37 87.99 3.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.353 1.073 . . . . 25.0 108.773 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -69.61 -24.9 63.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.492 -1.231 . . . . 25.0 114.181 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.01 -27.77 12.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -172.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.63 40.17 Favored Glycine 0 C--N 1.321 -0.257 0 C-N-CA 121.507 -0.377 . . . . 25.0 113.607 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.1 -11.63 59.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.023 0.439 . . . . 25.0 111.043 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.85 44.51 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 121.349 -0.453 . . . . 25.0 112.841 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 p -132.2 162.5 30.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.207 0.527 . . . . 25.0 112.333 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.07 162.45 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 103.089 -2.93 . . . . 25.0 103.089 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.0 p -82.19 161.1 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.754 1.161 . . . . 25.0 108.725 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.4 p -59.5 -36.73 76.62 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 122.107 0.956 . . . . 25.0 108.838 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.66 -36.05 75.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.817 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.17 -12.02 58.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.23 -46.1 62.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.195 0.521 . . . . 25.0 111.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.65 -34.29 89.51 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.673 -0.775 . . . . 25.0 112.425 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -41.01 61.67 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.284 -0.539 . . . . 25.0 111.018 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 19' ' ' PHE . 73.9 t -65.81 -48.46 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 tpt -59.88 -42.24 93.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 25.0 110.646 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.0 -24.07 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.967 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -68.22 -19.03 64.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.003 -0.436 . . . . 25.0 111.835 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.24 8.04 29.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.126 0.489 . . . . 25.0 110.461 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.05 4.78 88.2 Favored Glycine 0 C--O 1.223 -0.552 0 C-N-CA 121.07 -0.586 . . . . 25.0 114.379 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -130.5 132.08 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -103.97 143.13 26.04 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.92 168.82 20.29 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 117.005 -1.53 . . . . 25.0 108.612 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -75.34 155.82 36.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 103.242 -2.873 . . . . 25.0 103.242 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -62.27 -27.26 68.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.676 -0.64 . . . . 25.0 112.106 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.86 92.47 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.473 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.71 -43.22 97.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.288 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.74 -47.46 72.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.304 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.21 -43.59 98.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 25.0 111.367 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtt -66.12 -30.34 70.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.61 -49.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mm -60.94 -38.72 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.57 -17.39 64.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.88 -41.68 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 25.0 111.696 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -13.81 62.52 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.67 -0.644 . . . . 25.0 111.743 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -28.32 69.83 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 110.938 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.88 -24.07 59.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.236 1.017 . . . . 25.0 109.927 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 6.15 75.29 Favored Glycine 0 C--O 1.23 -0.143 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.124 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -65.78 -28.6 69.13 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.186 0.517 . . . . 25.0 111.789 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.36 -10.09 6.74 Favored Glycine 0 C--O 1.239 0.448 0 N-CA-C 115.991 1.156 . . . . 25.0 115.991 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -128.19 162.16 27.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 117.221 0.51 . . . . 25.0 110.759 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.6 mt -127.09 127.94 70.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.66 170.74 14.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.286 1.041 . . . . 25.0 110.192 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.44 -45.59 77.5 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -65.57 -24.23 56.23 Favored 'Trans proline' 0 C--N 1.356 0.945 1 C-N-CA 112.767 -4.355 . . . . 25.0 114.129 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -71.57 -41.76 68.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.814 -0.809 . . . . 25.0 108.814 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -56.95 -44.61 82.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.51 -35.97 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.091 -0.381 . . . . 25.0 111.193 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.5 m -63.29 -39.61 95.06 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.83 -42.26 97.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.24 -44.19 88.98 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.899 0.381 . . . . 25.0 110.695 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.81 88.38 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.683 -0.235 . . . . 25.0 110.373 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.476 -0.14 . . . . 25.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.59 -27.42 66.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.111 0.481 . . . . 25.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.8 mtm -82.27 -2.97 54.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.963 1.097 . . . . 25.0 113.963 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.41 148.21 28.34 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.604 -0.685 . . . . 25.0 111.777 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.26 153.82 31.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.394 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -131.96 137.56 47.96 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 103.443 -2.799 . . . . 25.0 103.443 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.66 -66.05 0.46 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 117.991 2.589 . . . . 25.0 117.991 -167.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.2 p -94.5 -25.75 16.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.904 -0.497 . . . . 25.0 112.299 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.3 -45.66 83.51 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.48 -33.29 75.37 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.614 -173.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.65 -44.65 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.513 0.673 . . . . 25.0 109.39 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 84.0 mt -68.21 -42.05 84.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-O 121.697 0.761 . . . . 25.0 109.467 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.51 -41.7 98.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 110.526 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.41 -47.92 66.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.31 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.469 0.914 . . . . 25.0 113.469 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -82.02 -28.46 32.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -65.61 -18.37 65.27 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.18 -28.42 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 120.953 0.406 . . . . 25.0 110.502 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -109.29 14.4 23.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -65.66 111.23 3.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.571 0.7 . . . . 25.0 110.13 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -66.83 -48.55 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.74 5.31 13.1 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.04 29.54 56.83 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 108.198 -1.961 . . . . 25.0 108.198 -175.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -128.69 13.33 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.556 0.743 . . . . 25.0 112.877 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.75 4.56 90.3 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.409 0.924 . . . . 25.0 115.409 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -96.71 136.43 37.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.267 1.033 . . . . 25.0 111.171 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -132.81 163.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 t -77.1 151.89 35.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.91 66.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.446 0.641 . . . . 25.0 109.33 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.9 83.5 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.99 0.424 . . . . 25.0 110.052 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -77.92 -30.78 50.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.048 -0.523 . . . . 25.0 109.773 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.65 -46.04 88.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -63.41 -39.66 95.09 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.458 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.81 -43.75 98.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.779 -0.191 . . . . 25.0 111.205 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.61 -42.27 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.0 mtt -61.37 -43.09 99.47 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.559 -0.456 . . . . 25.0 111.914 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 p -70.53 -26.46 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.929 -0.482 . . . . 25.0 111.461 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.85 -23.11 61.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.748 0.308 . . . . 25.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -90.57 -2.86 57.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.709 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 127.14 123.8 2.66 Favored Glycine 0 CA--C 1.516 0.117 0 CA-C-O 121.503 0.502 . . . . 25.0 112.747 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.51 154.17 42.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.396 0.617 . . . . 25.0 110.572 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -94.63 175.78 6.54 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.32 -47.87 82.35 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.113 0.782 . . . . 25.0 113.113 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.3 t -119.01 152.73 35.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.31 -30.18 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.353 0.596 . . . . 25.0 109.74 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -60.21 -35.03 74.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.463 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.19 -23.37 67.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.386 0.612 . . . . 25.0 110.272 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.25 -48.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -41.48 86.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.453 1.649 . . . . 25.0 115.453 -173.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -68.22 -30.47 69.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.409 -0.516 . . . . 25.0 110.324 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 46.8 ttp -67.4 -31.28 71.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.546 0.689 . . . . 25.0 110.365 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.5 mt -78.29 -32.49 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -66.39 -10.17 40.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.63 -30.61 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 25.0 110.092 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.4 158.9 15.82 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.084 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 65.66 1.06 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 122.016 0.912 . . . . 25.0 112.076 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.1 pt -65.87 -18.03 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.921 1.082 . . . . 25.0 113.921 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.54 -6.81 59.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 25.0 111.002 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.08 -54.59 3.14 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.712 -0.756 . . . . 25.0 114.407 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -120.12 -21.47 7.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 -8.82 11.75 Favored Glycine 0 C--O 1.24 0.508 0 O-C-N 121.832 -0.542 . . . . 25.0 113.45 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -118.01 152.12 36.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.84 149.94 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -87.53 112.2 21.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -61.28 -30.44 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -171.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.2 -42.89 96.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.458 0.647 . . . . 25.0 110.521 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -72.88 -34.93 67.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.446 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -68.45 -33.53 74.35 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.791 -0.764 . . . . 25.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.49 -42.53 95.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.91 -38.04 87.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 25.0 110.585 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.2 ttm -62.61 -41.68 99.14 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.951 0.5 . . . . 25.0 111.391 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mtm -71.81 -17.43 62.16 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.329 -0.232 . . . . 25.0 111.049 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.7 p 61.02 56.86 2.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 106.55 -1.648 . . . . 25.0 106.55 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -48.69 150.45 1.42 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.721 -1.581 . . . . 25.0 111.384 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.071 -0.966 . . . . 25.0 109.889 -175.897 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.9 -167.06 1.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -171.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -141.68 142.48 33.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.0 mt 63.69 17.96 10.79 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.883 1.273 . . . . 25.0 112.967 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 p -114.58 160.27 19.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.878 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.6 -13.53 62.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.517 0.675 . . . . 25.0 110.619 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -63.73 -35.47 80.68 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.906 -0.317 . . . . 25.0 110.295 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.5 -37.72 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.4 81.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -63.09 -39.63 95.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.233 -0.292 . . . . 25.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -64.79 -39.1 93.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -66.33 -45.82 78.97 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.812 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -69.03 -31.7 70.69 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.575 -0.85 . . . . 25.0 110.27 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.26 86.47 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.62 -42.93 73.7 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 t -57.97 -32.35 67.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.121 0.968 . . . . 25.0 112.707 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.97 -24.85 64.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.3 m-85 -113.52 -2.98 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -85.87 80.23 8.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -24.28 36.63 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.417 -175.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.63 -26.23 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.48 0.919 . . . . 25.0 113.48 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.8 18.4 47.88 Favored Glycine 0 C--N 1.322 -0.241 0 N-CA-C 111.336 -0.706 . . . . 25.0 111.336 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -86.75 -17.73 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.949 0.404 . . . . 25.0 110.429 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.55 14.78 72.7 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-O 119.094 -0.837 . . . . 25.0 114.205 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.15 164.51 21.46 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.132 0.966 . . . . 25.0 112.181 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -133.17 159.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 104.855 -2.276 . . . . 25.0 104.855 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -85.46 160.48 19.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 p -62.52 -24.91 67.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.045 0.926 . . . . 25.0 110.364 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -70.74 -30.96 67.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.527 -0.761 . . . . 25.0 109.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.35 -13.9 45.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 25.0 110.445 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.12 -37.85 64.79 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 122.028 -0.42 . . . . 25.0 111.179 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.72 98.02 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.343 -0.932 . . . . 25.0 111.739 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.7 80.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.78 -0.247 . . . . 25.0 111.412 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 19' ' ' PHE . 64.5 t -61.95 -46.36 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 25.0 110.587 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.613 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -26.37 67.6 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -72.44 -11.4 60.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -5.71 43.16 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.518 0.675 . . . . 25.0 109.278 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.53 -4.64 43.58 Favored Glycine 0 N--CA 1.454 -0.14 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.185 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -140.49 137.07 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.33 0.565 . . . . 25.0 109.801 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.92 151.73 47.59 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.76 176.93 9.49 Favored 'Trans proline' 0 C--O 1.239 0.549 0 N-CA-C 108.636 -1.332 . . . . 25.0 108.636 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.32 144.75 53.43 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -65.37 -33.7 76.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.982 -0.448 . . . . 25.0 111.672 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -44.74 73.12 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.5 -37.06 84.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.543 0.687 . . . . 25.0 109.77 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.64 -43.45 98.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.45 -42.54 92.27 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.62 -0.432 . . . . 25.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -58.58 -44.51 89.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.0 0.429 . . . . 25.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.26 -34.82 79.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.821 0.343 . . . . 25.0 111.366 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -68.18 -41.98 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.15 -43.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 119.049 -0.501 . . . . 25.0 112.059 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.36 -43.08 88.25 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.098 0.863 . . . . 25.0 112.336 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.301 0.572 . . . . 25.0 112.135 -175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.49 -25.59 60.52 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.072 -1.018 . . . . 25.0 108.81 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.85 -33.01 68.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.07 -26.06 68.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 122.669 1.223 . . . . 25.0 108.518 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.03 83.62 Favored Glycine 0 CA--C 1.508 -0.365 0 CA-C-N 113.525 -1.67 . . . . 25.0 115.515 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -91.82 -29.07 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.52 37.07 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -131.73 152.39 50.95 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -129.11 121.52 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 160.24 23.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.02 -45.6 99.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.79 -30.97 58.68 Favored 'Trans proline' 0 C--N 1.355 0.911 1 C-N-CA 112.871 -4.286 . . . . 25.0 114.243 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -31.2 63.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.916 -0.49 . . . . 25.0 110.367 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.22 -42.91 99.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.28 -39.95 81.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.638 -0.664 . . . . 25.0 110.201 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -63.95 -42.16 97.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -67.99 -33.92 75.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.448 -0.782 . . . . 25.0 110.247 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.31 -35.15 73.47 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.85 67.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.264 -0.272 . . . . 25.0 110.836 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -66.34 -42.14 88.56 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -69.73 -18.91 63.55 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.317 0.58 . . . . 25.0 111.861 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttp -83.72 9.81 10.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.69 150.67 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.763 1.023 . . . . 25.0 113.763 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.4 160.96 14.58 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.09 -1.414 . . . . 25.0 109.81 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.54 98.86 1.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.592 0.71 . . . . 25.0 110.333 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -38.09 69.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.285 0.564 . . . . 25.0 111.834 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -58.91 -32.26 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.67 -0.695 . . . . 25.0 112.759 -176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -94.58 -46.59 6.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.407 0.622 . . . . 25.0 110.999 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.73 -35.53 78.93 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.96 -43.59 98.52 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.328 0.967 . . . . 25.0 109.656 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -70.75 -41.83 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.605 0.717 . . . . 25.0 109.395 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.26 -38.34 78.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.37 -33.46 63.45 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.9 22.91 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.71 -31.18 13.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -64.13 -25.95 68.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -67.48 -19.93 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -119.79 6.58 10.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -73.09 132.36 43.21 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -61.79 -49.68 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -128.43 4.91 5.67 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.015 0.436 . . . . 25.0 110.717 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.38 32.56 27.86 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 107.933 -2.067 . . . . 25.0 107.933 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -66.37 -26.01 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.04 74.77 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.947 -0.861 . . . . 25.0 110.947 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -128.42 141.55 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.381 0.672 . . . . 25.0 109.307 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 pt -141.22 168.05 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 t -74.26 150.97 39.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.29 68.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.514 0.673 . . . . 25.0 110.559 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.11 74.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.582 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -35.46 37.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.89 -45.83 93.05 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.021 -0.99 . . . . 25.0 111.27 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.2 -43.63 94.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.825 -0.547 . . . . 25.0 110.851 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.87 -42.9 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.12 -35.59 80.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.5 m -62.53 -35.34 79.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.085 0.469 . . . . 25.0 110.117 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.07 -5.57 39.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 25.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.8 tp -131.17 44.2 2.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.99 -170.2 3.28 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 58.29 47.9 13.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.892 0.877 . . . . 25.0 111.999 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -125.53 129.93 50.72 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.7 mt 52.62 -147.76 0.45 Allowed 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.287 0.992 . . . . 25.0 109.317 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -118.87 160.54 21.75 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.911 -2.255 . . . . 25.0 104.911 171.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.58 -34.03 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.249 0.547 . . . . 25.0 110.031 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.22 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.858 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -76.88 -34.39 57.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 25.0 110.378 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.44 -33.78 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 25.0 110.536 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.7 -44.73 63.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.53 -35.85 70.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -70.84 -27.37 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.081 -0.387 . . . . 25.0 111.023 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.44 -42.41 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -60.72 -31.18 70.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.81 -27.9 58.1 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.005 0.431 . . . . 25.0 112.156 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.29 -31.59 13.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.95 122.15 15.3 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.61 103.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.48 -26.33 61.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.712 -1.131 . . . . 25.0 113.046 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.4 -38.77 95.29 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 115.523 0.969 . . . . 25.0 115.523 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -126.04 -8.02 6.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.451 1.649 . . . . 25.0 115.451 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.41 19.41 74.12 Favored Glycine 0 C--O 1.249 1.061 0 C-N-CA 121.357 -0.449 . . . . 25.0 113.113 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.92 169.11 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.124 0.487 . . . . 25.0 111.067 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.85 159.93 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -96.65 138.83 33.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.766 -2.679 . . . . 25.0 103.766 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -105.9 -8.25 17.77 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.1 -32.92 73.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.693 -0.855 . . . . 25.0 108.693 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -63.35 -39.36 94.34 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.8 -31.1 69.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.608 -0.683 . . . . 25.0 111.425 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.93 -46.86 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -61.31 -49.75 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.939 0.4 . . . . 25.0 110.264 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 ttm -63.58 -21.18 66.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -98.94 -28.3 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.2 t -84.49 -23.35 29.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.035 0.38 . . . . 25.0 111.181 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -146.38 135.42 22.57 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.007 -0.433 . . . . 25.0 110.767 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt . . . . . 0 C--O 1.246 0.891 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 178.669 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -108.77 -178.61 3.63 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 61.94 28.48 17.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.175 0.99 . . . . 25.0 111.86 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.2 mt -103.16 169.96 8.25 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.6 p -76.57 156.06 33.12 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.983 -1.117 . . . . 25.0 107.983 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -61.9 -29.81 70.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.792 0.664 . . . . 25.0 112.792 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -34.08 75.22 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.079 -0.388 . . . . 25.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.93 -36.72 64.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.62 -36.71 78.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.48 93.37 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.75 -42.91 89.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.047 0.385 . . . . 25.0 110.561 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -62.77 -40.13 96.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.0 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -70.11 -41.17 74.35 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.604 -0.438 . . . . 25.0 111.405 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -64.15 -44.24 92.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.65 78.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.088 0.471 . . . . 25.0 110.834 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.02 -48.57 57.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.145 0.498 . . . . 25.0 110.091 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 87.5 p -70.37 -14.74 62.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.28 -25.84 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.95 -26.29 8.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.591 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 59.7 t0 -79.73 82.06 5.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.686 0.755 . . . . 25.0 109.168 174.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -97.47 -1.79 43.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.264 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.47 -28.05 16.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.572 0.701 . . . . 25.0 110.247 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.79 9.37 61.19 Favored Glycine 0 C--O 1.23 -0.156 0 CA-C-N 115.344 -0.843 . . . . 25.0 114.803 173.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -73.11 -15.54 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.07 0.435 . . . . 25.0 111.736 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.74 16.77 65.03 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.7 p -132.75 165.05 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.382 0.611 . . . . 25.0 111.869 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -135.29 164.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 104.168 -2.531 . . . . 25.0 104.168 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.5 p -92.46 161.94 14.43 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 p -58.34 -30.67 66.92 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.557 0.694 . . . . 25.0 110.194 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -59.89 -35.08 74.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.919 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -97.12 -5.91 36.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -53.46 -46.37 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 25.0 110.96 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.28 91.87 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.696 -0.764 . . . . 25.0 112.154 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -33.24 66.78 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.123 -0.634 . . . . 25.0 112.016 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.04 -44.34 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.1 mtp -61.95 -41.06 97.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -57.41 -35.91 70.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.804 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.8 t -68.09 -22.6 64.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.14 6.65 48.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.524 0.678 . . . . 25.0 109.481 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 -4.74 82.72 Favored Glycine 0 CA--C 1.517 0.176 0 CA-C-N 115.883 -0.599 . . . . 25.0 114.305 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -91.15 127.07 36.43 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.03 -0.688 . . . . 25.0 109.731 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.84 114.21 56.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 105.39 -2.078 . . . . 25.0 105.39 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.2 153.15 45.87 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 115.723 -2.384 . . . . 25.0 112.511 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -71.99 165.5 24.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.601 -1.629 . . . . 25.0 106.601 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -33.81 76.75 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.61 70.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.19 -41.9 89.62 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.082 0.468 . . . . 25.0 110.72 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.66 -42.89 99.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.089 -0.505 . . . . 25.0 109.891 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.66 -44.4 74.16 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.05 -0.26 . . . . 25.0 110.611 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.49 -44.52 84.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.3 -32.69 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.896 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.86 -39.31 77.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 119.236 -0.411 . . . . 25.0 110.463 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.09 -37.75 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.745 0.702 . . . . 25.0 111.83 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -58.3 -38.38 76.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.663 . . . . 25.0 111.064 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -88.34 -25.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.229 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.95 -32.33 73.5 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -34.59 78.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.959 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.47 -26.51 51.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.716 1.246 . . . . 25.0 110.391 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 5.15 62.35 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -88.45 -25.94 22.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.644 1.222 . . . . 25.0 111.349 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.77 84.5 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 120.84 -0.695 . . . . 25.0 114.76 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.7 p -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.015 0.407 . . . . 25.0 110.846 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.6 mt -134.26 123.39 43.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.586 -1.265 . . . . 25.0 107.586 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.53 163.35 21.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.943 0.402 . . . . 25.0 110.066 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.17 -46.96 99.63 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -66.33 -31.0 44.43 Favored 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 112.816 -4.323 . . . . 25.0 114.129 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.56 -28.65 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.609 -0.682 . . . . 25.0 110.702 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.31 -45.77 92.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.24 -41.5 89.94 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 122.103 -0.373 . . . . 25.0 111.004 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -67.96 -42.93 80.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.2 ttp -63.48 -40.43 97.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.637 -0.664 . . . . 25.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 mmt -67.24 -27.94 67.64 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.989 -0.444 . . . . 25.0 110.493 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.15 -27.48 64.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -63.7 -41.46 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.193 0.52 . . . . 25.0 111.703 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -87.86 2.16 52.17 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.802 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.3 ttt -68.35 -20.85 64.75 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.575 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.33 147.29 36.24 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.03 -148.98 0.43 Allowed 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.178 1.177 . . . . 25.0 114.178 -173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.11 -16.91 61.54 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.261 1.024 . . . . 25.0 112.282 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.31 -23.51 23.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.158 0.504 . . . . 25.0 111.161 176.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -56.81 -33.01 66.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -66.89 -40.0 87.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.139 -0.351 . . . . 25.0 111.744 -176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.13 -16.95 33.94 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.979 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.35 -38.99 92.98 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.35 -39.37 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.227 -0.442 . . . . 25.0 109.919 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.34 -35.08 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 111.549 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.2 59.8 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.563 0.22 . . . . 25.0 111.536 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -95.96 -30.94 13.33 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -64.25 -27.32 68.97 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -68.05 -13.82 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.832 -0.543 . . . . 25.0 111.611 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.44 -2.06 29.48 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.18 85.54 7.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.827 0.822 . . . . 25.0 109.02 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.64 71.66 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.49 -7.38 22.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -173.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.86 29.65 64.82 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -112.68 1.79 15.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -175.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.67 1.23 90.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 116.379 1.312 . . . . 25.0 116.379 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -104.39 137.69 41.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.469 1.135 . . . . 25.0 113.664 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.7 pt -136.98 162.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.4 t -79.65 151.74 30.38 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.245 -0.91 . . . . 25.0 109.021 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.63 69.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.72 83.77 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 110.313 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -76.14 -32.4 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 141' ' ' PHE . 58.7 tp -62.38 -47.79 82.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -64.74 -30.08 71.08 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.987 -0.445 . . . . 25.0 110.955 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.88 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -44.46 96.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.8 t -71.21 -26.71 63.06 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.583 -0.698 . . . . 25.0 110.49 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -72.31 -31.62 65.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.976 -0.452 . . . . 25.0 110.662 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.72 -19.01 61.47 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.94 114.66 2.12 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.393 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.13 87.24 0.77 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.58 0.705 . . . . 25.0 109.526 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -123.43 1.06 8.95 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.936 -0.575 . . . . 25.0 112.503 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.9 167.5 16.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 -174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.19 148.89 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.306 0.379 . . . . 25.0 110.245 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.23 -47.19 87.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 25.0 110.095 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.43 -32.58 71.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.851 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -62.8 -29.35 70.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.732 0.813 . . . . 25.0 111.375 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.84 -42.58 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.933 0.873 . . . . 25.0 109.618 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -64.23 -32.06 73.5 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -174.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.42 -28.8 67.27 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.443 0.535 . . . . 25.0 112.443 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.0 mtm -76.67 -36.57 57.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.699 0.762 . . . . 25.0 109.375 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.72 -27.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.11 64.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.8 -27.65 17.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.438 0.637 . . . . 25.0 110.739 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.27 90.22 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -151.49 -179.38 7.34 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.622 1.712 . . . . 25.0 115.622 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.41 136.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.932 -1.031 . . . . 25.0 109.225 -176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.24 -24.04 6.65 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.83 -22.08 58.47 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-O 119.611 -0.549 . . . . 25.0 114.062 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -106.81 -28.69 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.425 0.612 . . . . 25.0 111.963 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.65 16.08 28.61 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 118.702 2.241 . . . . 25.0 118.702 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.73 137.16 52.88 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.136 1.468 . . . . 25.0 112.543 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.11 160.42 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -103.43 129.22 50.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 104.627 -2.36 . . . . 25.0 104.627 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -77.89 -24.01 48.58 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -172.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.76 -39.57 91.18 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.022 -0.424 . . . . 25.0 111.753 -176.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -84.22 -27.67 27.81 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.726 -0.608 . . . . 25.0 110.024 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.402 ' CE2' HD21 ' A' ' 105' ' ' LEU . 28.7 t80 -71.86 -36.41 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.938 -0.705 . . . . 25.0 111.502 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.02 -26.02 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.261 -1.014 . . . . 25.0 108.261 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -76.16 -40.72 51.85 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.7 ttm -58.22 -48.38 80.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.473 0.309 . . . . 25.0 111.199 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.21 -4.25 13.36 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.7 t -126.48 14.23 7.63 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.784 -0.572 . . . . 25.0 111.808 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.02 149.68 47.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.575 0.226 . . . . 25.0 110.481 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mptt . . . . . 0 C--O 1.251 1.153 0 N-CA-C 103.956 -2.609 . . . . 25.0 103.956 177.397 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.81 54.93 10.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 164.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.15 162.71 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.071 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.73 134.39 56.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -77.26 157.14 30.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.653 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 1.7 pm0 -62.7 -31.35 72.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.89 -48.96 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.39 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.17 -24.99 57.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.598 -0.841 . . . . 25.0 110.637 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.99 -34.05 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.35 87.17 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.978 -0.451 . . . . 25.0 109.835 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.53 -43.02 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.011 0.369 . . . . 25.0 110.259 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.38 -44.0 79.79 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.95 -45.09 83.04 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.923 -0.58 . . . . 25.0 112.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -77.94 -34.27 51.27 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.847 -0.533 . . . . 25.0 112.376 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.66 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -71.5 -45.89 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.358 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -64.97 -20.68 66.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.15 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.71 -22.45 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -116.92 -2.16 11.84 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.51 98.35 6.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -69.8 -27.0 64.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -109.77 -27.82 9.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.84 14.56 39.62 Favored Glycine 0 C--O 1.228 -0.231 0 N-CA-C 111.988 -0.445 . . . . 25.0 111.988 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -80.48 -7.23 59.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.895 0.378 . . . . 25.0 111.717 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.87 22.22 50.3 Favored Glycine 0 C--O 1.241 0.554 0 C-N-CA 121.301 -0.476 . . . . 25.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -131.56 162.85 29.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.462 0.649 . . . . 25.0 112.384 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -134.09 167.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.3 p -88.47 167.48 13.41 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.545 -0.862 . . . . 25.0 108.676 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 p -58.48 -31.79 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.204 0.526 . . . . 25.0 110.886 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -65.87 -39.71 90.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.727 0.775 . . . . 25.0 110.619 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.56 -8.79 58.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.014 -0.994 . . . . 25.0 112.848 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.98 -46.4 71.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.073 0.463 . . . . 25.0 111.173 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -36.88 91.28 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.668 -0.777 . . . . 25.0 112.551 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -38.67 82.89 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.429 -0.453 . . . . 25.0 112.021 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.64 -45.18 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 mtt -60.57 -43.16 97.59 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.232 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.31 -26.2 65.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -72.28 -22.19 61.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.812 0.339 . . . . 25.0 110.585 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.7 4.04 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 25.0 109.808 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.88 1.28 90.21 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.258 -0.496 . . . . 25.0 112.644 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -84.95 135.23 34.13 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -106.29 92.29 6.66 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 121.074 0.464 . . . . 25.0 110.856 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.19 162.58 33.89 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 116.863 -1.624 . . . . 25.0 109.312 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 p -84.53 158.64 20.89 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.569 -1.641 . . . . 25.0 106.569 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.61 -30.36 69.07 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.51 -0.744 . . . . 25.0 110.435 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.97 84.06 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.027 0.441 . . . . 25.0 110.334 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.32 -46.43 89.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.05 -42.42 89.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.35 -53.05 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.512 0.196 . . . . 25.0 111.225 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.51 -35.99 78.26 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.653 -0.419 . . . . 25.0 111.817 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 mtt -64.71 -34.72 78.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 25.0 110.118 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -70.82 -38.97 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.07 -37.78 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 117.917 0.326 . . . . 25.0 110.54 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.8 -38.31 87.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.629 -0.669 . . . . 25.0 111.289 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.95 -33.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 25.0 110.245 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.76 -28.89 67.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 25.0 110.271 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.81 78.87 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.762 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.93 -25.28 40.55 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 122.104 0.954 . . . . 25.0 108.59 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.23 82.11 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.223 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -71.1 -28.74 64.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.191 0.52 . . . . 25.0 112.398 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.96 -9.61 1.43 Allowed Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.538 1.375 . . . . 25.0 116.538 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -132.75 165.79 23.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.694 0.747 . . . . 25.0 110.795 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.6 125.02 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.75 168.67 18.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.45 0.643 . . . . 25.0 111.016 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.08 -47.78 96.08 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 114.302 1.223 . . . . 25.0 114.302 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.93 -25.4 44.93 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 113.069 -4.154 . . . . 25.0 113.605 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.52 -31.4 63.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.863 -0.523 . . . . 25.0 109.846 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.16 -41.88 99.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.69 -33.64 76.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 mmt -62.86 -37.76 88.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.63 -0.669 . . . . 25.0 109.779 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.8 mmt -67.41 -34.01 76.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.983 0.421 . . . . 25.0 110.877 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.32 67.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -87.26 1.95 51.6 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.647 0.736 . . . . 25.0 111.739 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttp -89.93 9.0 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 25.0 109.885 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -80.46 72.64 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.703 0.763 . . . . 25.0 111.509 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -64.01 -2.07 1.79 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.79 2.515 . . . . 25.0 117.79 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -91.25 -22.89 20.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.729 -1.123 . . . . 25.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -96.02 0.36 51.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.3 t -44.8 -39.0 4.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 117.093 2.257 . . . . 25.0 117.093 -170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -61.59 -38.69 88.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.318 -0.864 . . . . 25.0 111.781 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.08 -26.83 18.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.977 -0.452 . . . . 25.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.98 -41.4 96.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.78 -38.94 83.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.16 -40.87 94.92 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.764 -0.585 . . . . 25.0 109.956 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.87 -39.35 90.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 25.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.48 81.25 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.819 0.342 . . . . 25.0 111.087 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.26 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.57 -19.37 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -104.9 9.72 34.58 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.988 0.423 . . . . 25.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -75.73 114.06 13.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.382 . . . . 25.0 110.169 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' HE22 ' A' ' 135' ' ' GLN . 1.5 ttpt -68.92 -44.7 72.55 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -114.56 0.43 13.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -174.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.49 58.42 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 107.796 -2.122 . . . . 25.0 107.796 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -119.07 9.8 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.38 0.672 . . . . 25.0 112.673 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.05 7.59 85.17 Favored Glycine 0 C--O 1.235 0.181 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.05 132.25 49.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.311 1.055 . . . . 25.0 112.406 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 pt -125.32 157.16 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -71.86 150.88 43.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.518 -0.738 . . . . 25.0 110.104 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.84 77.61 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.107 0.479 . . . . 25.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -75.82 -35.78 59.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.62 -41.92 99.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -61.0 -39.15 88.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.66 -49.72 74.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.82 -39.06 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 117.971 0.351 . . . . 25.0 110.087 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -59.45 -41.01 88.65 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.92 -0.488 . . . . 25.0 110.788 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -69.71 -30.56 68.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.851 0.834 . . . . 25.0 110.303 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -21.6 61.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.985 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -1.49 14.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.42 -174.41 44.65 Favored Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.65 -0.786 . . . . 25.0 112.85 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.45 148.08 45.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -134.21 151.11 51.15 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.64 -36.58 60.14 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.259 0.349 . . . . 25.0 111.933 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.87 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.506 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.51 62.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -28.57 69.61 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.324 -0.853 . . . . 25.0 109.853 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.5 -25.6 65.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.681 0.753 . . . . 25.0 110.326 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.84 -42.52 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.6 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -61.06 -30.11 70.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.033 0.444 . . . . 25.0 111.423 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.8 ttp -76.53 -39.24 53.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.98 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.17 -40.38 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.128 -0.358 . . . . 25.0 110.956 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -64.67 -10.63 28.33 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.867 1.802 . . . . 25.0 115.867 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.73 -31.39 63.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.334 0.587 . . . . 25.0 109.577 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.62 157.65 20.3 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.436 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.98 140.72 56.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -124.62 130.68 73.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.38 163.15 28.47 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 123.556 0.742 . . . . 25.0 111.407 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.17 66.4 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 114.841 0.696 . . . . 25.0 114.841 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -80.28 7.06 10.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.108 0.954 . . . . 25.0 110.846 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 35.01 42.37 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 110.659 -0.976 . . . . 25.0 110.659 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.493 HE22 ' HB2' ' A' ' 94' ' ' LYS . 32.0 mt-30 -116.25 155.75 27.79 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.23 153.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 130.42 35.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -82.99 -26.0 31.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.438 1.644 . . . . 25.0 115.438 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -70.83 -37.22 73.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.331 0.969 . . . . 25.0 111.611 -175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -74.42 -33.81 63.07 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -42.43 79.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.84 -35.89 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.494 -0.754 . . . . 25.0 111.539 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -73.39 -29.3 62.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.705 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.1 ttp -63.97 -30.91 71.95 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.892 -0.505 . . . . 25.0 110.212 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.3 mtt -63.29 -18.42 63.58 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.76 0.314 . . . . 25.0 111.785 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.1 p -104.58 -1.83 25.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.27 149.91 38.69 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -80.2 95.96 6.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.367 -2.456 . . . . 25.0 104.367 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -156.14 163.15 39.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.435 -172.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mp -80.19 157.59 26.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -127.1 165.63 19.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 1.8 pm0 -61.36 -33.49 73.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.773 0.321 . . . . 25.0 110.252 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -63.07 -43.28 99.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.525 0.679 . . . . 25.0 109.492 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.64 -30.14 68.79 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.126 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.4 -37.29 77.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.01 90.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.03 -42.42 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.897 0.38 . . . . 25.0 110.609 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.02 -36.99 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -65.26 -43.6 90.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.98 -43.22 93.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.5 87.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.053 0.454 . . . . 25.0 111.724 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.291 0.567 . . . . 25.0 109.579 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -63.42 -20.39 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.52 -24.78 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.54 -1.56 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.0 1.111 . . . . 25.0 114.0 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -72.42 104.79 3.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.106 -1.813 . . . . 25.0 106.106 172.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -68.19 -33.99 75.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -116.44 -25.21 7.55 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 115.835 1.791 . . . . 25.0 115.835 -169.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 12.14 33.96 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.494 -0.643 . . . . 25.0 111.494 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.23 -7.85 59.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.963 0.411 . . . . 25.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.55 27.78 46.07 Favored Glycine 0 C--O 1.235 0.201 0 C-N-CA 121.085 -0.579 . . . . 25.0 112.289 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -131.55 158.47 40.88 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -137.06 175.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -98.79 163.84 12.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 p -56.11 -42.55 77.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.423 0.63 . . . . 25.0 110.691 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -63.72 -37.5 87.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.068 0.461 . . . . 25.0 111.826 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -75.45 -6.89 52.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.12 -40.44 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.457 0.646 . . . . 25.0 109.721 174.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.07 -33.1 86.33 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 111.419 -0.672 . . . . 25.0 111.419 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -37.63 73.46 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.241 -0.564 . . . . 25.0 111.253 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.97 -47.49 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.5 mmm -58.22 -44.36 88.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.406 0.622 . . . . 25.0 109.85 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.07 -37.18 71.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.687 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -73.84 -22.46 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.623 -0.431 . . . . 25.0 112.117 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.02 -4.6 50.89 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.71 -4.73 36.84 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 116.313 1.285 . . . . 25.0 116.313 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -133.31 123.13 24.9 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.558 1.179 . . . . 25.0 110.015 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -103.08 124.5 38.22 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 107.79 -1.189 . . . . 25.0 107.79 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.85 161.25 36.5 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.582 -1.145 . . . . 25.0 110.508 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -73.85 165.38 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -57.01 -33.49 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 25.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.05 57.48 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.503 -0.317 . . . . 25.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.31 -35.44 80.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 25.0 109.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.6 -48.8 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.48 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -63.87 -37.74 88.52 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.163 -0.215 . . . . 25.0 111.154 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.51 -39.32 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.834 0.35 . . . . 25.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.1 mtt -72.62 -37.62 68.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 25.0 111.052 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.52 -31.82 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.84 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.32 -35.24 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.971 -0.456 . . . . 25.0 112.189 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.66 -28.24 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.569 -0.707 . . . . 25.0 111.139 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.67 -31.06 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.605 0.716 . . . . 25.0 110.676 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.5 -14.1 47.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.694 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.14 74.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.422 -0.354 . . . . 25.0 110.681 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -95.74 -26.96 15.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.929 0.871 . . . . 25.0 109.188 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.98 84.47 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.246 -0.888 . . . . 25.0 115.045 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -66.94 -25.97 66.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 117.686 0.743 . . . . 25.0 112.393 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.28 10.81 82.06 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 121.708 -0.282 . . . . 25.0 113.461 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.7 p -131.3 156.79 44.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.082 0.441 . . . . 25.0 110.779 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -135.75 122.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -83.26 174.27 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.106 0.955 . . . . 25.0 108.912 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.1 -48.73 87.54 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.69 -23.95 35.63 Favored 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 112.713 -4.391 . . . . 25.0 113.704 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -70.81 -37.93 73.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -59.77 -44.64 93.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.88 -37.16 83.87 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.119 -0.363 . . . . 25.0 110.672 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -64.6 -39.3 93.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 ttm -64.33 -38.97 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.904 0.383 . . . . 25.0 110.892 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.1 mmt -66.88 -28.99 68.78 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.815 0.817 . . . . 25.0 109.991 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.97 -7.8 59.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.414 1.086 . . . . 25.0 113.676 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.22 -35.38 62.36 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.83 -0.544 . . . . 25.0 111.363 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.01 -16.76 54.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.07 0.548 . . . . 25.0 112.448 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.0 ttp -112.98 6.04 17.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.373 0.669 . . . . 25.0 111.34 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -92.24 -34.5 14.24 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.99 167.86 16.09 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -174.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.6 m -126.95 104.55 8.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.323 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -45.5 65.55 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.643 1.349 . . . . 25.0 114.643 -175.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -72.99 -38.33 66.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -95.07 -35.46 11.91 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 114.549 1.315 . . . . 25.0 114.549 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.18 -50.05 6.21 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -171.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.74 -39.37 91.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.24 -42.29 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 121.751 -0.593 . . . . 25.0 109.536 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -68.83 -39.6 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.193 -0.317 . . . . 25.0 111.13 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -75.76 -25.53 56.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.93 77.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.548 -0.72 . . . . 25.0 111.234 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -69.09 -28.42 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.284 0.564 . . . . 25.0 110.059 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -77.55 -10.38 59.46 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.41 -23.54 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -98.46 -4.99 33.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.048 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -74.98 151.21 38.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -49.91 4.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -174.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -128.94 10.95 6.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.12 0.486 . . . . 25.0 111.658 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.88 21.47 36.19 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 108.155 -1.978 . . . . 25.0 108.155 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.65 -5.78 39.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.94 -3.25 85.92 Favored Glycine 0 N--CA 1.462 0.388 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -138.89 159.54 41.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.638 0.719 . . . . 25.0 110.913 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -135.76 164.61 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 m -78.98 154.3 29.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.97 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.946 0.403 . . . . 25.0 110.876 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.08 95.53 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 109.809 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.46 -38.45 71.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.467 HD22 HG21 ' A' ' 136' ' ' VAL . 54.1 tp -60.4 -41.64 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -38.9 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -65.89 -48.45 71.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.345 -0.242 . . . . 25.0 110.345 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.96 -42.69 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.947 0.403 . . . . 25.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.4 mtt -63.24 -33.44 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.73 -0.606 . . . . 25.0 111.157 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.9 m -73.5 -35.46 65.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.91 -36.49 82.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.22 -34.39 78.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.394 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.37 146.44 5.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.667 -0.777 . . . . 25.0 113.425 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.88 159.39 32.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -134.75 156.87 48.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.66 -40.22 17.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -118.88 164.74 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.451 0.643 . . . . 25.0 109.854 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.68 -24.38 41.8 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.33 -35.08 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.3 -28.28 69.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.834 0.35 . . . . 25.0 111.434 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.67 -43.38 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -29.75 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.16 -38.18 79.12 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 110.186 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtm -79.3 -27.83 42.2 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.068 -0.395 . . . . 25.0 111.038 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.95 -36.83 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -61.91 -34.52 76.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.383 -0.372 . . . . 25.0 111.289 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -83.04 -24.15 32.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 165.22 8.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.099 -0.955 . . . . 25.0 112.652 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -79.52 47.61 0.84 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.115 0.966 . . . . 25.0 112.727 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.0 pt -70.09 158.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.181 0.991 . . . . 25.0 113.513 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -149.69 178.12 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 104.138 -2.541 . . . . 25.0 104.138 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.4 -26.82 57.31 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 116.057 1.183 . . . . 25.0 116.057 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.98 -5.48 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.559 0.679 . . . . 25.0 112.256 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.54 38.89 86.93 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.781 -0.723 . . . . 25.0 114.142 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -118.03 153.62 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.467 HG21 HD22 ' A' ' 105' ' ' LEU . 13.5 m -145.03 150.65 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.639 0.776 . . . . 25.0 109.057 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.95 145.53 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -93.55 -23.51 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.66 -44.3 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -173.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.14 -32.71 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.942 0.401 . . . . 25.0 109.996 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -69.37 -40.25 77.56 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.06 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.27 -47.1 93.72 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.69 -39.7 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.428 0.291 . . . . 25.0 110.977 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.08 -39.68 93.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.905 0.383 . . . . 25.0 111.799 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.5 mtt -82.31 -33.45 28.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.0 p -95.24 -10.5 30.19 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 58.07 30.26 19.02 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.873 0.869 . . . . 25.0 109.79 -173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.239 0.523 0 CA-C-O 117.771 -1.109 . . . . 25.0 112.181 -178.331 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.658 ' H ' ' HA ' ' A' ' 76' ' ' MET . 6.8 t0 -77.94 -8.82 58.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.285 0.634 . . . . 25.0 111.498 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 58.29 35.41 24.88 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.858 0.863 . . . . 25.0 109.661 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.74 134.8 56.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.347 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -114.97 165.72 12.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.85 -30.74 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.854 0.359 . . . . 25.0 111.246 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.61 -42.17 99.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 25.0 109.747 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -73.54 -30.38 63.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.105 -0.372 . . . . 25.0 110.346 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.44 -37.19 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.893 -0.505 . . . . 25.0 109.792 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.77 -39.92 93.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.97 0.35 . . . . 25.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.826 -0.546 . . . . 25.0 110.518 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.39 99.62 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.305 0.642 . . . . 25.0 110.797 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.29 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.874 0.368 . . . . 25.0 111.154 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.77 -45.56 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.631 0.729 . . . . 25.0 110.223 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -68.45 -22.06 64.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.523 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -25.64 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.75 0.278 . . . . 25.0 111.75 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -109.45 -4.45 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.52 104.13 8.93 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -69.36 -21.65 63.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.23 -27.74 4.82 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 -173.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 13.79 39.32 Favored Glycine 0 C--N 1.322 -0.248 0 C-N-CA 121.518 -0.373 . . . . 25.0 113.291 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.86 -11.74 59.86 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.948 0.404 . . . . 25.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.5 27.84 21.25 Favored Glycine 0 C--O 1.235 0.175 0 C-N-CA 121.445 -0.407 . . . . 25.0 113.409 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -134.59 149.89 50.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.81 173.42 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 51.7 p -94.96 160.02 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -61.4 -30.48 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.676 0.751 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -73.42 -31.35 63.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.232 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.13 -12.68 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.607 -0.269 . . . . 25.0 111.236 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.29 -39.47 69.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.926 0.393 . . . . 25.0 109.97 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.23 -42.28 99.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.495 -0.859 . . . . 25.0 111.732 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -41.83 67.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.464 -0.433 . . . . 25.0 111.674 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.25 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -62.42 -22.68 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -64.57 -23.89 67.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.186 -0.321 . . . . 25.0 111.11 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.91 4.88 35.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.189 0.518 . . . . 25.0 110.768 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 5.8 82.72 Favored Glycine 0 C--O 1.229 -0.217 0 C-N-CA 121.425 -0.417 . . . . 25.0 113.917 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -130.29 130.91 45.11 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -135.77 148.18 64.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -77.48 174.12 13.18 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 110.104 -0.768 . . . . 25.0 110.104 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -71.21 163.89 26.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.33 61.02 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.57 -33.19 74.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.266 0.555 . . . . 25.0 110.271 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.95 -41.61 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -68.22 -39.4 82.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -42.71 95.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.341 0.591 . . . . 25.0 109.902 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mtt -64.75 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.877 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.64 -43.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.11 -39.62 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 122.126 0.17 . . . . 25.0 111.284 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.41 -31.36 44.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -14.79 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -19.23 65.77 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.21 -0.931 . . . . 25.0 110.67 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.28 -24.96 61.18 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.2 -21.64 66.64 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.29 1.043 . . . . 25.0 111.869 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.71 5.98 88.38 Favored Glycine 0 C--O 1.229 -0.168 0 CA-C-N 113.649 -1.614 . . . . 25.0 112.555 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -105.3 -27.93 11.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.44 87.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.762 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 23.7 p -120.88 159.06 26.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.599 0.36 . . . . 25.0 111.071 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.92 119.93 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 104.401 -2.444 . . . . 25.0 104.401 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.64 173.92 8.74 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.16 -42.94 84.2 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.06 -26.94 50.2 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 112.805 -4.33 . . . . 25.0 114.108 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.59 -35.08 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.187 0.994 . . . . 25.0 109.055 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.14 -39.76 90.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.19 -38.31 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -67.07 -24.46 65.97 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.951 0.796 . . . . 25.0 111.01 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttm -63.62 -27.32 69.15 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.626 -0.672 . . . . 25.0 109.191 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -87.42 -32.82 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.89 76.7 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.279 0.562 . . . . 25.0 109.966 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -61.54 -34.8 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.809 -0.557 . . . . 25.0 110.792 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -72.38 -31.88 65.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.633 0.73 . . . . 25.0 109.322 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.658 ' HA ' ' H ' ' A' ' 2' ' ' ASP . 6.8 ttp -71.71 -17.99 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.087 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? 61.92 53.49 3.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.23 1.012 . . . . 25.0 109.768 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.65 82.91 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -60.64 -24.99 65.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.353 1.612 . . . . 25.0 115.353 -171.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.48 -35.47 77.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.698 0.285 . . . . 25.0 111.013 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -94.98 -47.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.94 -45.86 7.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 117.224 2.305 . . . . 25.0 117.224 -173.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -91.94 -28.92 16.95 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 117.308 2.336 . . . . 25.0 117.308 -168.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.43 -38.33 80.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.484 1.038 . . . . 25.0 111.337 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.57 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.447 0.641 . . . . 25.0 109.723 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -73.29 -35.99 66.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 25.0 110.856 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -28.08 69.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.646 0.378 . . . . 25.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.96 72.0 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.754 -0.591 . . . . 25.0 111.669 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.99 -23.07 28.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.11 0.481 . . . . 25.0 110.593 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -67.63 -15.24 63.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.424 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.1 -25.4 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -104.38 4.42 33.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.61 129.16 39.73 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.091 0.472 . . . . 25.0 110.414 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -72.03 -42.92 65.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -128.83 -5.18 5.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.69 5.05 63.3 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.465 -0.398 . . . . 25.0 112.641 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -96.13 11.8 33.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.417 0.609 . . . . 25.0 112.293 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.87 16.09 56.87 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.855 -0.688 . . . . 25.0 114.345 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.27 142.69 50.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 pt -135.62 164.23 33.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 N-CA-C 104.89 -2.263 . . . . 25.0 104.89 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 p -81.83 162.95 22.65 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 120.759 -1.213 . . . . 25.0 108.363 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.15 68.72 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.545 0.688 . . . . 25.0 109.289 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.53 80.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.08 -35.71 78.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.4 tp -58.58 -47.74 83.28 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -67.56 -35.98 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 119.832 -0.747 . . . . 25.0 110.447 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.22 -49.5 76.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.85 0.295 . . . . 25.0 110.216 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.3 -45.79 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ttm -61.32 -41.92 97.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 115' ' ' LYS . 6.9 t -78.08 -24.6 47.56 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.611 -0.681 . . . . 25.0 110.605 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.17 -31.77 66.25 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.1 -0.375 . . . . 25.0 110.721 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.5 -32.56 12.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.97 12.38 10.73 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.975 1.55 . . . . 25.0 116.975 -176.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.02 46.05 19.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' H ' ' HA ' ' A' ' 110' ' ' THR . 71.3 mmtt -55.97 115.94 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.59 -42.62 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -118.87 156.62 29.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -67.63 -37.77 82.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.34 -30.8 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.57 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.73 -28.7 67.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.473 0.654 . . . . 25.0 111.044 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.01 -41.5 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 25.0 109.671 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.69 -44.16 77.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.01 -36.24 67.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 25.0 112.177 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 47.2 ttp -73.39 -38.68 65.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 25.0 110.677 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.27 -35.29 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.222 -0.445 . . . . 25.0 109.9 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -55.37 -32.01 62.23 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.94 -36.49 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.75 -19.52 35.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -136.94 163.96 29.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -174.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.3 21.15 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.14 99.74 0.1 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.48 -0.23 76.53 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 115.295 0.878 . . . . 25.0 115.295 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -106.69 -24.56 12.08 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.234 1.017 . . . . 25.0 112.236 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.3 45.89 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.866 -0.607 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -117.79 130.57 56.38 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.302 0.551 . . . . 25.0 111.645 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.63 160.61 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.764 0.426 . . . . 25.0 109.979 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -96.41 152.41 18.63 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.979 -1.859 . . . . 25.0 105.979 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -104.35 -5.98 21.24 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.5 -48.92 70.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.59 0.71 . . . . 25.0 110.498 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -68.89 -31.88 71.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.572 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -31.72 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.325 -0.55 . . . . 25.0 111.704 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.82 -46.57 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 122.071 -0.393 . . . . 25.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -31.82 70.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.3 ttp -70.07 -29.34 66.3 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.852 -0.53 . . . . 25.0 111.944 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.8 mtt -79.19 -4.18 49.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.364 0.875 . . . . 25.0 113.364 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.8 t -117.26 34.15 5.27 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.15 144.94 11.38 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.335 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.5 tttt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 113.845 -1.525 . . . . 25.0 112.34 -176.78 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.42 -169.11 2.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -71.07 -18.41 62.55 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.84 131.85 39.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -72.26 154.32 41.05 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -63.67 -30.15 71.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.056 -0.403 . . . . 25.0 111.841 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -68.27 -36.34 79.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.254 -0.279 . . . . 25.0 110.55 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.71 -36.83 73.43 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.93 -37.1 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.12 93.62 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.277 -0.264 . . . . 25.0 110.947 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.01 -45.27 93.31 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.32 -40.21 95.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 25.0 109.828 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 4.1 tmtt? -61.74 -44.56 96.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.618 0.229 . . . . 25.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -68.74 -39.21 80.47 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.895 -0.722 . . . . 25.0 111.017 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.02 79.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 25.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.62 -46.39 66.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.534 0.683 . . . . 25.0 109.312 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 23.0 t -66.99 -17.1 64.77 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.66 -32.34 71.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.167 0.508 . . . . 25.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -105.62 -12.2 16.04 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -81.71 81.83 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.402 1.096 . . . . 25.0 108.075 175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.92 -9.51 58.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.717 -1.129 . . . . 25.0 113.093 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -108.7 -27.45 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.57 16.56 42.26 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.619 -0.719 . . . . 25.0 112.039 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.14 -16.88 59.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.87 0.366 . . . . 25.0 111.814 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 17.17 73.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 121.257 -0.497 . . . . 25.0 112.173 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.5 p -132.7 165.16 25.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 25.0 111.39 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 pt -135.42 166.81 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 104.924 -2.25 . . . . 25.0 104.924 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -86.1 161.7 18.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 p -58.51 -38.47 77.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.403 0.621 . . . . 25.0 110.005 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.12 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.993 0.425 . . . . 25.0 111.616 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.91 -7.81 59.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.79 -41.69 70.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.503 0.668 . . . . 25.0 109.93 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.34 -37.87 93.17 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.266 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.16 -0.612 . . . . 25.0 111.84 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.66 -47.63 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.58 -43.0 99.67 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 25.0 110.363 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -56.12 -36.16 67.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.72 0.295 . . . . 25.0 111.022 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -71.54 -22.11 61.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.56 0.49 56.29 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.44 -1.24 88.47 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 111.521 -0.631 . . . . 25.0 111.521 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.12 123.64 30.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.43 92.26 47.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.76 164.67 33.14 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 117.318 -1.321 . . . . 25.0 109.801 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.08 158.92 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.07 -33.22 72.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.77 76.96 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.277 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.64 -39.64 92.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.931 0.395 . . . . 25.0 110.471 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.41 -43.12 95.4 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.02 -49.35 76.4 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -58.42 -43.43 88.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.993 0.425 . . . . 25.0 111.697 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.1 -34.37 76.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.035 -0.416 . . . . 25.0 111.604 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.36 -43.2 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.695 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.31 -38.95 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -57.56 -30.41 65.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.93 -36.98 6.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.208 0.528 . . . . 25.0 111.107 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -25.73 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.138 -0.351 . . . . 25.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.28 79.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.639 0.257 . . . . 25.0 111.336 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.04 -19.23 51.92 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.34 7.23 76.74 Favored Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.88 1.112 . . . . 25.0 115.88 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.66 -28.22 64.63 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.269 1.035 . . . . 25.0 111.955 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.28 -3.81 3.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 116.969 1.548 . . . . 25.0 116.969 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.1 p -129.53 159.52 36.08 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.819 0.809 . . . . 25.0 110.628 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -133.04 126.25 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.042 -1.836 . . . . 25.0 106.042 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -82.61 173.57 11.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.01 0.909 . . . . 25.0 109.719 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.25 -46.43 61.27 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -66.16 -24.72 51.28 Favored 'Trans proline' 0 C--N 1.355 0.883 1 C-N-CA 112.183 -4.745 . . . . 25.0 113.47 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -69.88 -36.23 75.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.893 -0.504 . . . . 25.0 110.331 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -55.93 -38.96 70.98 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.341 0.591 . . . . 25.0 109.765 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -77.76 -36.1 50.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.624 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 m -64.27 -34.91 79.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.425 0.29 . . . . 25.0 111.307 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.8 mtt -58.3 -28.4 64.98 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.951 -0.468 . . . . 25.0 112.059 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.1 mtt -69.3 -28.55 66.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.12 -0.362 . . . . 25.0 111.115 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.1 63.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.632 -0.258 . . . . 25.0 111.621 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -59.16 -47.23 86.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.499 0.666 . . . . 25.0 110.872 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.1 0.76 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.0 ttt -85.99 -40.43 15.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.197 -0.315 . . . . 25.0 111.111 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -167.49 78.22 0.17 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.045 -0.354 . . . . 25.0 110.045 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.25 4.72 49.81 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.038 1.495 . . . . 25.0 115.038 -175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p -94.82 125.29 39.38 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.186 -2.154 . . . . 25.0 105.186 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.37 -66.69 0.89 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 119.858 3.281 . . . . 25.0 119.858 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.1 t -103.57 -72.88 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 121.438 3.866 . . . . 25.0 121.438 169.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -100.25 -70.91 0.72 Allowed 'General case' 0 N--CA 1.478 0.952 1 N-CA-C 123.752 4.723 . . . . 25.0 123.752 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.99 -36.99 72.69 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 113.515 -1.675 . . . . 25.0 114.797 -162.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.1 -20.21 65.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.455 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.45 -45.76 77.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -69.72 -34.77 74.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -61.04 -33.45 73.31 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.903 0.382 . . . . 25.0 111.278 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.31 70.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.804 0.335 . . . . 25.0 111.572 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.04 -30.68 19.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.326 0.584 . . . . 25.0 109.855 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -63.57 -19.66 65.0 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.37 0.668 . . . . 25.0 112.478 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.4 -18.66 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 121.897 -0.502 . . . . 25.0 110.92 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -97.26 -10.9 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.831 -0.543 . . . . 25.0 112.372 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -86.55 89.37 7.89 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -69.99 -25.63 63.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.16 -6.9 14.52 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 -175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.22 30.08 38.8 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.32 -22.94 60.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 0.72 74.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -138.93 155.19 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.414 -0.462 . . . . 25.0 111.201 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -139.12 169.38 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -71.25 147.56 48.07 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.56 -26.0 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.82 84.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.267 0.556 . . . . 25.0 109.706 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.3 -36.92 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.21 -43.29 96.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -62.94 -38.41 90.93 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.365 -0.21 . . . . 25.0 110.44 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.68 -45.61 93.26 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.634 -0.426 . . . . 25.0 110.746 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.44 -40.57 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.0 mtt -57.85 -48.36 80.03 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.208 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -67.42 -38.59 84.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.889 0.376 . . . . 25.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.91 -43.32 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.439 0.638 . . . . 25.0 109.422 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -90.43 31.77 1.0 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.882 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.02 122.54 2.51 Favored Glycine 0 CA--C 1.517 0.187 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.52 175.35 5.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.251 0.548 . . . . 25.0 110.914 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -136.09 173.52 11.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 104.975 -2.232 . . . . 25.0 104.975 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -58.77 3.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.458 0.572 . . . . 25.0 110.091 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.5 p -118.41 161.64 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.73 -23.08 66.67 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.7 -35.49 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.315 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -69.49 -23.02 63.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.068 0.461 . . . . 25.0 110.884 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.16 -42.81 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.96 -38.25 85.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.72 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.31 -43.85 33.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.135 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -70.48 -39.78 74.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.58 0.705 . . . . 25.0 111.225 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.42 -36.98 74.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.779 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 124.028 0.931 . . . . 25.0 113.227 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -15.37 59.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -177.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.83 148.11 24.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -77.85 82.41 4.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 mm -76.88 116.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.75 168.18 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.03 58.17 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 115.34 0.896 . . . . 25.0 115.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 25.0 110.649 177.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.75 23.3 76.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.152 -0.546 . . . . 25.0 113.408 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -117.62 147.37 42.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.61 148.04 23.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.019 0.438 . . . . 25.0 111.797 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -78.14 100.13 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -68.17 -33.37 74.34 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -170.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.3 -42.86 99.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.664 1.12 . . . . 25.0 112.708 -174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -67.17 -35.44 79.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.81 -38.37 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.977 0.418 . . . . 25.0 110.984 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.44 -43.08 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -61.17 -44.69 96.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.9 ttm -61.06 -41.5 96.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.4 ptp -79.03 -26.52 43.19 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.075 -0.65 . . . . 25.0 110.979 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m 57.7 38.04 27.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.548 1.166 . . . . 25.0 108.724 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -152.7 176.08 12.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.0 -1.455 . . . . 25.0 109.485 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.475 0.811 0 O-C-N 124.968 1.418 . . . . 25.0 109.521 -178.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--O 1.222 -0.365 0 CA-C-O 121.194 0.521 . . . . 25.0 110.616 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.73 -35.7 67.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.9 -32.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.46 84.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.55 -38.95 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.983 0.356 . . . . 25.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -60.11 -36.54 77.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.855 -0.528 . . . . 25.0 109.867 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -73.74 -44.0 57.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.657 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.48 -42.2 92.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.196 0.453 . . . . 25.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.35 80.22 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 122.249 -0.282 . . . . 25.0 111.094 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -72.68 -46.36 54.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.337 0.589 . . . . 25.0 109.867 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 t -64.42 -21.96 66.81 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.226 -0.443 . . . . 25.0 112.131 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.92 -23.5 65.3 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.46 0.304 . . . . 25.0 111.622 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.51 -2.07 11.57 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -78.22 76.81 4.73 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.292 1.044 . . . . 25.0 108.46 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -67.28 -37.89 84.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.755 -1.112 . . . . 25.0 113.696 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.46 -25.23 39.01 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.06 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.64 15.72 70.14 Favored Glycine 0 CA--C 1.516 0.139 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.656 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -93.89 2.14 56.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.331 0.586 . . . . 25.0 110.067 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.8 28.14 43.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.494 -0.86 . . . . 25.0 111.749 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -130.0 158.93 38.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.594 0.591 . . . . 25.0 112.594 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.6 pt -135.27 169.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 104.797 -2.297 . . . . 25.0 104.797 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 p -85.17 160.59 19.88 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -57.34 -35.59 70.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.786 0.327 . . . . 25.0 111.797 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.98 -22.55 45.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -12.26 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.273 -0.267 . . . . 25.0 110.953 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.75 -41.44 73.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.158 0.504 . . . . 25.0 110.981 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -36.87 92.75 Favored Glycine 0 C--O 1.225 -0.433 0 C-N-CA 120.751 -0.738 . . . . 25.0 111.401 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -37.04 76.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.189 -0.595 . . . . 25.0 111.8 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.86 -45.82 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 ttm -63.6 -39.77 95.23 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.249 0.547 . . . . 25.0 110.54 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -63.76 -32.09 73.48 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.428 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -69.3 -22.89 63.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 110.21 -0.293 . . . . 25.0 110.21 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -89.35 0.65 56.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 -5.08 67.62 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 116.691 1.436 . . . . 25.0 116.691 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -107.3 137.79 44.71 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.927 1.363 . . . . 25.0 110.146 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.83 105.14 55.98 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-O 121.214 0.53 . . . . 25.0 110.759 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.07 160.35 36.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 CA-C-O 120.99 0.329 . . . . 25.0 112.734 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -75.79 147.38 39.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.69 -30.59 71.61 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.07 -0.394 . . . . 25.0 110.897 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.07 82.23 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -70.33 -37.92 74.77 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.3 -38.42 77.01 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.641 -0.254 . . . . 25.0 111.026 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -59.43 -44.91 92.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.62 -0.264 . . . . 25.0 110.515 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.13 -32.48 63.18 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.677 0.275 . . . . 25.0 111.665 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 mtt -59.23 -35.2 73.23 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.252 0.549 . . . . 25.0 110.782 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.87 -38.09 74.79 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.882 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -63.59 -38.04 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.462 0.649 . . . . 25.0 111.09 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.04 -10.04 55.58 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.84 -42.87 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.164 0.507 . . . . 25.0 111.896 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -134.34 66.9 1.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.129 0.966 . . . . 25.0 110.827 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.92 63.65 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.246 -0.888 . . . . 25.0 113.18 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -88.22 -18.54 28.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.566 0.698 . . . . 25.0 110.904 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.12 32.35 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 114.95 0.74 . . . . 25.0 114.95 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -64.79 -27.82 69.15 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 117.41 0.605 . . . . 25.0 110.536 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.97 52.22 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.3 p -129.82 158.74 38.63 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.862 1.831 . . . . 25.0 113.784 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.5 mt -138.01 128.85 37.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.416 -2.068 . . . . 25.0 105.416 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.5 169.3 12.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.317 1.056 . . . . 25.0 110.901 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.61 -45.69 76.47 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -65.4 -25.69 56.06 Favored 'Trans proline' 0 C--N 1.358 1.054 1 C-N-CA 112.786 -4.343 . . . . 25.0 113.757 177.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.94 -43.0 65.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -55.79 -44.98 78.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 25.0 110.128 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.04 -36.7 77.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.865 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -64.41 -37.62 88.14 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.01 -0.431 . . . . 25.0 109.916 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.5 ttm -60.16 -46.18 90.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 25.0 109.873 178.131 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.12 -43.91 95.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.071 0.463 . . . . 25.0 110.381 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.73 -41.05 84.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -63.43 -31.89 73.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.88 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.07 -47.8 77.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.789 0.722 . . . . 25.0 112.026 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.8 85.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.048 0.451 . . . . 25.0 111.113 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.44 -23.44 60.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -57.24 -29.52 63.85 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.87 -11.4 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -94.57 -25.44 16.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -85.38 89.46 7.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.069 -1.086 . . . . 25.0 108.069 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -74.58 -24.35 58.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -105.69 -8.98 17.56 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.0 31.72 61.57 Favored Glycine 0 C--N 1.331 0.273 0 N-CA-C 109.186 -1.565 . . . . 25.0 109.186 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -91.01 -14.94 30.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.87 -25.48 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.545 -0.722 . . . . 25.0 112.836 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -116.61 139.31 50.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.46 161.66 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 t -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.555 -0.715 . . . . 25.0 109.134 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.88 66.27 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.463 0.649 . . . . 25.0 110.541 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.03 71.69 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.045 0.45 . . . . 25.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -82.08 -37.4 26.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.71 -41.3 97.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -59.26 -35.26 73.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.446 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -67.13 -43.27 82.83 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.54 -47.6 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.93 68.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.093 0.473 . . . . 25.0 112.142 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.52 -36.94 37.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 25.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -73.17 -35.3 66.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.297 0.57 . . . . 25.0 112.352 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.67 -34.56 77.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.705 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.67 173.85 36.65 Favored Glycine 0 C--O 1.218 -0.887 0 N-CA-C 111.458 -0.657 . . . . 25.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.52 33.85 8.56 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.248 1.023 . . . . 25.0 112.396 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 119.59 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.697 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.09 175.19 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 25.0 109.724 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.0 p -66.53 160.93 24.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.57 -33.7 71.77 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -68.03 -36.41 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.818 0.342 . . . . 25.0 111.352 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.29 -34.18 70.41 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.69 0.757 . . . . 25.0 110.732 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.78 -28.69 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 121.823 -0.548 . . . . 25.0 109.791 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.3 -33.93 71.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.968 0.413 . . . . 25.0 111.563 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -53.55 -40.87 65.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.036 0.446 . . . . 25.0 111.383 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.5 mtm -82.56 -32.83 28.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.666 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.37 -41.39 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -52.89 -42.88 65.72 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -31.84 55.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.659 0.742 . . . . 25.0 112.317 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.97 -18.86 35.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.967 1.84 . . . . 25.0 115.967 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.66 135.14 43.73 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.455 1.279 . . . . 25.0 114.455 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.8 mm -113.73 117.5 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.68 -24.79 67.09 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -74.91 -29.41 60.95 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.053 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.87 -25.52 11.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.37 19.69 79.78 Favored Glycine 0 C--O 1.241 0.543 0 N-CA-C 109.745 -1.342 . . . . 25.0 109.745 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -122.23 162.0 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.575 -0.813 . . . . 25.0 109.969 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.06 144.5 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.72 147.02 51.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -31.87 8.4 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.802 -0.359 . . . . 25.0 111.469 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.37 -49.75 57.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -73.84 -26.33 60.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.983 -1.118 . . . . 25.0 107.983 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.0 -41.47 87.74 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.95 -43.0 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.063 0.458 . . . . 25.0 110.167 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.22 -34.31 74.67 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 120.292 -0.563 . . . . 25.0 110.581 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.4 ttp -63.66 -25.07 68.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.12 0.486 . . . . 25.0 111.632 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.7 mtt -73.69 -17.41 61.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.579 -0.701 . . . . 25.0 112.151 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -176.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 121.326 0.584 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.19 -33.32 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.095 -0.378 . . . . 25.0 110.12 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.74 -33.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.84 81.88 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.017 -0.427 . . . . 25.0 110.372 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.59 -39.85 95.44 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.735 -0.603 . . . . 25.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -65.11 -37.73 88.39 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.22 -41.32 90.28 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.737 -0.211 . . . . 25.0 111.038 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.09 -41.91 97.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.973 0.416 . . . . 25.0 109.909 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.769 0.319 . . . . 25.0 110.635 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -69.87 -47.92 60.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 109.942 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 t -66.3 -20.2 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -24.07 66.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.798 0.332 . . . . 25.0 111.326 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.5 -5.37 12.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.86 77.73 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.25 -8.94 26.35 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.383 -0.826 . . . . 25.0 112.431 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -82.63 -28.04 31.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.8 -1.555 . . . . 25.0 106.8 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.8 2.66 69.24 Favored Glycine 0 C--N 1.328 0.095 0 CA-C-N 115.321 -0.854 . . . . 25.0 113.572 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.24 -5.96 58.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.89 35.28 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.5 p -132.33 165.14 24.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.08 164.63 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 104.208 -2.516 . . . . 25.0 104.208 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -89.22 161.2 16.56 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.3 p -59.96 -28.17 67.42 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.144 0.973 . . . . 25.0 109.922 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.61 -23.77 62.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.145 -0.934 . . . . 25.0 111.377 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.04 -3.78 40.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.518 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.31 -41.95 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.681 0.753 . . . . 25.0 109.131 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -30.09 76.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.612 -0.804 . . . . 25.0 112.489 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -33.07 62.37 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.237 -0.566 . . . . 25.0 111.716 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.75 -45.46 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -39.46 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.289 0.566 . . . . 25.0 110.289 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -64.59 -33.71 76.56 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.004 -0.435 . . . . 25.0 111.083 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -68.68 -30.45 69.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.75 4.73 13.02 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.872 0.469 . . . . 25.0 110.561 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.36 -4.39 62.17 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -136.49 131.25 33.72 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.899 1.35 . . . . 25.0 111.967 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -83.07 133.77 47.54 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 106.896 -1.52 . . . . 25.0 106.896 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.49 168.23 21.67 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 118.041 -0.839 . . . . 25.0 111.465 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.56 146.9 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -67.21 -29.02 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -176.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.83 97.03 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.954 0.406 . . . . 25.0 110.769 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.57 -41.34 93.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.02 -40.67 96.48 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.31 -48.25 82.32 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.522 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -68.02 -35.12 77.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.557 -0.457 . . . . 25.0 111.254 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.17 -29.47 68.35 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 120.846 0.355 . . . . 25.0 111.541 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -79.63 -36.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.12 -39.69 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.12 -0.362 . . . . 25.0 111.711 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -70.71 -21.55 62.55 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.294 -0.879 . . . . 25.0 112.555 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.13 -38.46 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.84 -12.49 61.59 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.309 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.95 79.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.16 -27.54 19.51 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.343 -1.354 . . . . 25.0 107.343 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.31 66.29 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 117.331 1.692 . . . . 25.0 117.331 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.87 -29.87 69.89 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.783 1.292 . . . . 25.0 113.744 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.5 -4.1 21.94 Favored Glycine 0 C--O 1.246 0.851 0 C-N-CA 121.215 -0.517 . . . . 25.0 113.989 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 167.7 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.21 -2.144 . . . . 25.0 105.21 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.64 112.88 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.917 -1.882 . . . . 25.0 105.917 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.71 172.0 13.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.34 -45.75 78.23 Favored Pre-proline 0 C--N 1.315 -0.918 0 C-N-CA 119.754 -0.778 . . . . 25.0 112.901 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -61.77 -31.89 85.87 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 114.323 -3.318 . . . . 25.0 114.464 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.671 -0.643 . . . . 25.0 109.476 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -61.39 -41.41 97.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.11 -36.2 81.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.201 -0.312 . . . . 25.0 110.517 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -64.29 -38.27 90.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.9 ttm -65.2 -25.15 67.58 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.063 -0.398 . . . . 25.0 111.019 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 120.948 -1.095 . . . . 25.0 108.978 176.174 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.85 -34.61 74.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 119.005 0.821 . . . . 25.0 111.828 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.66 -41.22 89.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.901 0.858 . . . . 25.0 108.938 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -83.83 -31.79 25.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -89.46 -37.54 14.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.37 83.58 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -174.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.36 -23.93 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.744 -0.597 . . . . 25.0 112.142 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -68.99 -27.99 66.2 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.33 -17.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.591 -0.443 . . . . 25.0 109.921 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -95.54 -18.23 20.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.062 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -83.48 83.15 7.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 173.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.97 -42.73 49.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -119.52 9.45 11.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -172.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.28 38.26 26.01 Favored Glycine 0 N--CA 1.464 0.528 0 C-N-CA 120.578 -0.82 . . . . 25.0 112.457 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -76.43 -23.88 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.4 -3.58 81.99 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 111.665 -0.574 . . . . 25.0 111.665 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -138.9 159.66 41.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 pt -135.43 161.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 t -67.22 143.26 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.04 -22.83 67.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.793 0.33 . . . . 25.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.42 91.06 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.01 -28.49 57.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.344 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.02 -45.26 94.39 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -62.97 -36.69 84.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.457 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.67 -46.91 87.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.62 -46.64 95.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.895 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.5 mtt -62.33 -39.31 92.63 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 t -75.81 -17.95 59.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.664 -0.648 . . . . 25.0 110.922 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -81.64 0.46 38.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -93.55 5.98 49.77 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 175.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.34 160.18 34.3 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.84 -0.618 . . . . 25.0 114.638 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.18 150.35 47.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -115.87 163.71 15.47 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -71.5 -42.34 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 25.0 110.924 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -121.07 156.64 31.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.005 -0.543 . . . . 25.0 109.74 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -65.08 -30.15 71.08 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.15 -32.76 66.71 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.34 -24.68 67.73 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.926 0.393 . . . . 25.0 111.566 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.13 -43.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.11 -38.27 82.5 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.855 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -65.39 -30.62 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 77.8 mtm -69.93 -31.05 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -78.73 -39.37 22.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.41 -25.52 67.25 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.68 -27.38 63.97 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.649 -0.421 . . . . 25.0 111.832 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.43 145.02 26.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.218 0.532 . . . . 25.0 110.811 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.83 138.78 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.7 tt -81.48 107.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.141 0.972 . . . . 25.0 111.643 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.03 140.74 58.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.261 -0.881 . . . . 25.0 113.177 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -16.75 79.14 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.637 -0.711 . . . . 25.0 113.341 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -77.25 -12.18 59.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 25.0 111.469 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 4.97 89.46 Favored Glycine 0 C--O 1.237 0.298 0 C-N-CA 120.98 -0.629 . . . . 25.0 112.359 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -121.09 154.6 35.92 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.2 148.94 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.279 0.362 . . . . 25.0 110.091 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -76.35 104.68 6.98 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 122.296 1.046 . . . . 25.0 110.82 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.37 -28.78 64.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -171.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.52 -40.96 96.6 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.571 -0.852 . . . . 25.0 111.983 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -74.24 -33.04 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -37.55 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.563 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.32 -42.07 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.56 -40.0 92.34 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.983 -0.287 . . . . 25.0 110.261 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.4 ttp -63.91 -39.8 95.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.124 0.488 . . . . 25.0 110.699 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 tpp -66.4 -16.62 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.802 0.334 . . . . 25.0 111.239 179.813 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.08 -34.88 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.415 0.626 . . . . 25.0 109.836 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.39 -35.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.133 -0.355 . . . . 25.0 110.723 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.02 -42.5 99.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.64 -35.72 79.43 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.23 -0.294 . . . . 25.0 110.565 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 3.4 tmtt? -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.46 -38.38 81.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.463 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.11 86.13 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.982 0.42 . . . . 25.0 110.371 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.33 -45.39 73.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 14.8 t -65.98 -21.62 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -25.86 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 25.0 110.704 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.33 -14.69 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.436 . . . . 25.0 112.044 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -81.56 77.25 8.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -69.35 -16.98 63.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.073 -1.422 . . . . 25.0 112.556 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -97.11 -27.87 14.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.331 0.586 . . . . 25.0 111.2 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.14 64.06 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.36 -0.836 . . . . 25.0 113.574 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.38 0.36 57.44 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.373 0.606 . . . . 25.0 111.423 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 25.52 52.61 Favored Glycine 0 C--O 1.234 0.14 0 CA-C-O 119.732 -0.482 . . . . 25.0 113.563 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.0 p -133.91 158.68 42.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.345 0.573 . . . . 25.0 112.386 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 pt -138.91 167.04 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 p -86.59 160.81 18.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -60.3 -31.1 69.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.593 0.711 . . . . 25.0 110.724 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.189 -0.459 . . . . 25.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -11.48 59.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.59 -40.38 75.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.58 95.61 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.728 -0.749 . . . . 25.0 111.441 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.18 83.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.16 -0.612 . . . . 25.0 112.212 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.59 -47.03 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -63.01 -41.39 99.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 25.0 109.907 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.2 -23.88 67.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.948 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -66.0 -23.06 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.342 -0.224 . . . . 25.0 111.017 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.53 13.31 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 25.0 109.804 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 -4.16 86.11 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 114.988 0.755 . . . . 25.0 114.988 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.91 123.04 30.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.28 92.1 16.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 121.272 0.558 . . . . 25.0 109.737 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.35 169.36 20.2 Favored 'Trans proline' 0 C--O 1.237 0.427 0 N-CA-C 109.64 -0.946 . . . . 25.0 109.64 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -67.43 156.07 37.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.7 -25.33 67.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.933 -0.48 . . . . 25.0 110.37 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.89 -47.34 72.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.81 -39.28 93.33 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.67 -44.22 96.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.573 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.53 -42.88 77.84 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 121.111 -0.236 . . . . 25.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 25.0 111.352 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -66.4 -30.98 71.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.024 -0.422 . . . . 25.0 111.281 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.73 -37.02 54.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.17 -34.49 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.724 -0.61 . . . . 25.0 109.829 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.51 -6.02 33.1 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -122.69 -43.06 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.937 0.399 . . . . 25.0 111.681 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.27 55.85 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.465 0.65 . . . . 25.0 112.203 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -30.96 72.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.125 0.488 . . . . 25.0 109.81 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -91.92 -15.72 27.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.806 0.812 . . . . 25.0 110.917 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.53 37.08 41.76 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.207 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -64.18 -29.08 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.06 2.72 90.6 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.571 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -134.0 153.84 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -133.95 126.66 50.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.72 171.55 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.072 0.939 . . . . 25.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -66.91 -43.94 49.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.9 -26.24 59.39 Favored 'Trans proline' 0 C--N 1.357 1.021 1 C-N-CA 112.441 -4.573 . . . . 25.0 113.443 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -71.4 -42.02 68.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.05 -43.78 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 25.0 109.637 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.2 -39.65 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.69 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -64.29 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.748 -0.205 . . . . 25.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.2 mtp -59.74 -43.13 94.38 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.969 -0.457 . . . . 25.0 109.861 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 C--N 1.325 -0.497 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.396 179.23 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 119.849 -0.119 . . . . 25.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.82 -37.54 82.36 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.154 0.502 . . . . 25.0 109.783 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.59 -39.88 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.957 -0.756 . . . . 25.0 108.957 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.77 -34.36 78.0 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.114 -0.366 . . . . 25.0 110.754 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.05 -35.25 73.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.655 0.264 . . . . 25.0 111.208 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.36 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.962 0.411 . . . . 25.0 111.221 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -86.55 -25.12 25.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.755 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -65.71 -15.9 63.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.5 0.555 . . . . 25.0 112.5 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -65.3 -20.48 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -108.17 3.36 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 25.0 111.762 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -78.82 146.18 33.86 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -85.38 -49.98 7.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -133.66 9.01 3.91 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.75 25.78 10.39 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.579 -1.008 . . . . 25.0 110.579 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.79 -8.41 58.74 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -0.72 83.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 117.406 1.722 . . . . 25.0 117.406 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.04 146.07 40.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.984 0.892 . . . . 25.0 112.003 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.99 158.17 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.9 t -59.42 140.84 55.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.36 -28.29 69.66 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.442 0.639 . . . . 25.0 110.266 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.22 77.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -33.45 73.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.618 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.63 -38.66 78.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.69 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -61.48 -33.32 73.57 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 25.0 110.571 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -68.42 -39.66 81.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.7 t -67.18 -44.32 87.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -23.67 67.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.7 t -94.92 0.72 54.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.083 0.401 . . . . 25.0 112.083 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -62.43 -14.75 44.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.6 mt -84.09 -14.78 49.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.03 0.443 . . . . 25.0 110.688 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.48 169.24 11.84 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 108.158 -1.977 . . . . 25.0 108.158 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.2 128.14 34.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -75.08 140.19 43.31 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.6 -43.82 88.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.53 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.0 p -119.01 140.65 49.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.24 -30.9 70.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 174.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -54.24 -35.77 62.84 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.838 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.2 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 25.0 110.557 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.35 -41.67 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.56 -32.9 74.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 25.0 112.643 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -33.77 73.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.064 0.393 . . . . 25.0 110.736 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 69.8 mtm -75.18 -29.53 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.477 -0.764 . . . . 25.0 110.982 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.52 -29.09 18.22 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -58.38 -32.43 68.59 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.295 0.638 . . . . 25.0 112.29 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.52 -42.24 30.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.853 0.359 . . . . 25.0 110.124 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.27 62.98 5.58 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.09 8.03 2.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.7 96.69 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 122.152 0.977 . . . . 25.0 113.303 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.52 5.07 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -36.27 -54.28 1.27 Allowed Glycine 0 N--CA 1.466 0.691 0 N-CA-C 117.997 1.959 . . . . 25.0 117.997 -174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -126.0 17.35 7.89 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.26 10.96 85.8 Favored Glycine 0 C--O 1.244 0.733 0 CA-C-N 115.101 -0.954 . . . . 25.0 114.383 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.09 153.83 33.09 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 117.486 0.643 . . . . 25.0 112.693 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.23 148.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -78.57 110.23 13.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.042 0.925 . . . . 25.0 111.514 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.12 -20.68 64.05 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.422 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.941 -0.475 . . . . 25.0 111.097 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.24 -35.39 76.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.18 -35.08 77.47 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.667 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.56 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -64.32 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 25.0 111.103 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.34 -39.12 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.504 . . . . 25.0 111.932 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.7 mtt -82.6 -6.99 59.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 175.723 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -73.41 -34.24 65.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.82 -36.31 76.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.52 86.99 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.317 -0.239 . . . . 25.0 111.524 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.78 -39.92 84.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.579 0.704 . . . . 25.0 110.933 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -65.56 -36.73 84.65 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.486 -0.759 . . . . 25.0 109.532 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -75.59 -36.98 60.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.11 -41.05 86.86 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.797 -0.564 . . . . 25.0 109.927 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.08 85.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 25.0 110.361 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -65.68 -50.34 65.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 25.0 109.986 177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -66.13 -19.73 65.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.949 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.43 -35.05 76.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.583 0.706 . . . . 25.0 111.297 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -102.79 -9.6 19.83 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.671 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -82.01 85.77 6.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -68.73 -30.24 68.83 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 114.504 1.298 . . . . 25.0 114.504 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.3 -25.02 17.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.563 0.697 . . . . 25.0 112.272 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.72 14.83 59.08 Favored Glycine 0 CA--C 1.51 -0.275 0 CA-C-N 115.354 -0.839 . . . . 25.0 113.028 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -73.71 -11.31 60.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.188 0.518 . . . . 25.0 112.373 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.72 21.99 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -135.46 157.21 47.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.661 0.743 . . . . 25.0 112.538 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -134.21 173.19 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 103.354 -2.832 . . . . 25.0 103.354 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 p -99.21 161.5 13.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.786 -1.191 . . . . 25.0 107.786 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -54.84 -44.02 73.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.079 0.466 . . . . 25.0 111.944 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -65.54 -28.87 69.47 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.12 -16.38 53.19 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.728 0.299 . . . . 25.0 111.133 -175.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.57 -37.46 78.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.445 0.64 . . . . 25.0 109.974 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.91 -27.78 70.84 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.544 -0.836 . . . . 25.0 112.064 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -35.75 31.64 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.498 -1.001 . . . . 25.0 111.635 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.4 -46.17 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.21 -38.56 83.7 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 120.973 0.416 . . . . 25.0 111.043 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.89 -35.09 77.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.798 -0.564 . . . . 25.0 111.051 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -67.5 -27.27 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.359 -0.213 . . . . 25.0 110.958 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.33 -0.11 9.35 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.47 72.54 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 117.995 1.958 . . . . 25.0 117.995 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -142.75 138.77 30.72 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 118.609 1.204 . . . . 25.0 111.002 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -85.39 128.43 59.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.45 173.94 13.07 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 118.166 -0.756 . . . . 25.0 111.602 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.91 138.38 42.34 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.82 -25.58 64.75 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -64.4 0.87 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.925 0.393 . . . . 25.0 111.808 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.2 -28.6 69.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.379 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -36.7 84.9 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.98 -42.2 73.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.1 -33.73 76.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.502 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.7 mtt -59.57 -29.34 67.87 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -75.76 -32.36 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 122.184 -0.322 . . . . 25.0 110.874 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.18 -37.29 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 121.147 0.499 . . . . 25.0 111.171 -176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.83 -27.78 66.92 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -98.58 -29.71 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.497 0.665 . . . . 25.0 110.294 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.2 -21.54 59.63 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.87 -0.519 . . . . 25.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.13 69.85 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.49 -27.11 61.21 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 122.351 1.072 . . . . 25.0 110.48 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.56 88.92 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.918 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -70.6 -26.32 63.45 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.01 12.11 83.55 Favored Glycine 0 CA--C 1.52 0.377 0 O-C-N 121.74 -0.6 . . . . 25.0 112.136 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -133.99 168.85 18.03 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -128.18 113.69 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.3 167.91 19.01 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.812 0.815 . . . . 25.0 109.608 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -60.29 -45.14 97.6 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 114.776 1.399 . . . . 25.0 114.776 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.79 -33.29 76.68 Favored 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 112.888 -4.275 . . . . 25.0 114.835 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -69.96 -34.45 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.718 0.77 . . . . 25.0 109.778 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.84 -38.74 92.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.692 -0.685 . . . . 25.0 109.357 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.52 -32.76 71.79 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.841 -0.537 . . . . 25.0 110.875 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.0 m -61.05 -34.72 75.32 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.7 mtt -60.97 -26.5 67.6 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.44 -0.787 . . . . 25.0 111.215 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.747 -179.152 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 -47.44 86.31 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 118.772 0.715 . . . . 25.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.7 -39.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.227 1.013 . . . . 25.0 109.187 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -63.85 -26.64 68.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.164 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.52 -39.15 67.34 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.122 0.415 . . . . 25.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.16 -27.86 68.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.14 0.495 . . . . 25.0 112.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -91.04 -19.65 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.672 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -62.66 -33.66 75.49 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.216 0.531 . . . . 25.0 111.527 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.47 -16.68 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 116.144 -0.48 . . . . 25.0 112.116 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -98.24 -10.58 23.79 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.722 0.296 . . . . 25.0 110.933 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.1 115.73 20.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.39 -42.15 79.48 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.32 4.08 5.17 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.14 36.24 11.33 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -87.91 -18.59 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.1 -0.99 87.73 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 112.161 -0.376 . . . . 25.0 112.161 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -120.06 141.26 49.92 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.742 0.817 . . . . 25.0 109.972 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -138.87 165.29 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.2 t -71.5 152.45 43.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.17 66.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.5 97.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.516 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -71.39 -36.12 71.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.176 0.513 . . . . 25.0 109.764 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.14 -45.94 89.55 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -60.03 -40.56 89.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.674 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.476 ' CE1' HD21 ' A' ' 111' ' ' ASN . 32.4 t60 -57.42 -52.01 67.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 119.369 -0.348 . . . . 25.0 110.544 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.2 -43.48 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.201 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 29.7 mtt -60.95 -39.18 88.54 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.162 -0.336 . . . . 25.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -67.05 -35.15 79.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.476 HD21 ' CE1' ' A' ' 107' ' ' HIS . 85.1 m-20 -69.87 -24.33 63.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.819 0.342 . . . . 25.0 111.829 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.5 -14.85 22.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 112.136 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.47 144.4 25.58 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 120.913 -0.661 . . . . 25.0 111.635 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -130.92 -32.04 1.67 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -129.16 176.7 7.7 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -174.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -162.62 0.22 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.146 1.378 . . . . 25.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 t -101.59 152.56 20.66 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.805 0.442 . . . . 25.0 110.687 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.75 -23.35 67.15 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.287 0.565 . . . . 25.0 111.538 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -68.44 -24.45 64.73 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.752 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.64 -35.45 75.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.8 -39.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -66.04 -32.33 73.74 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 112.481 0.548 . . . . 25.0 112.481 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -66.5 -34.71 78.53 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.946 -0.471 . . . . 25.0 110.073 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 75.8 mtm -66.42 -34.76 78.67 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 120.963 -1.086 . . . . 25.0 109.764 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.22 -32.1 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -68.49 -37.87 80.49 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.997 0.519 . . . . 25.0 111.873 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.23 -21.99 61.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.607 0.718 . . . . 25.0 111.483 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.98 138.71 32.98 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.94 134.4 52.9 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 174.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.5 mt -119.47 128.16 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 105.276 -2.12 . . . . 25.0 105.276 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -71.16 161.83 30.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.82 -23.4 61.14 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 114.614 0.605 . . . . 25.0 114.614 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -83.55 6.31 20.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 25.0 111.764 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 31.69 58.8 Favored Glycine 0 C--O 1.24 0.495 0 C-N-CA 121.489 -0.386 . . . . 25.0 112.224 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -120.15 156.92 30.11 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.77 156.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -94.01 106.62 18.59 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -71.33 -21.05 62.1 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.947 -0.471 . . . . 25.0 111.748 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.53 -37.99 76.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.44 0.638 . . . . 25.0 110.031 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.48 94.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.557 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.07 -43.53 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -40.4 95.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.098 0.475 . . . . 25.0 110.326 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 tpp -57.83 -30.64 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 mtt -70.76 -11.55 61.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -179.375 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.224 -0.27 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.2 -22.12 49.05 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 119.654 -0.818 . . . . 25.0 110.032 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -71.13 -38.48 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.4 87.8 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -60.39 -43.15 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.437 0.637 . . . . 25.0 109.707 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.92 -38.74 89.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -63.81 -40.73 97.34 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.747 -0.595 . . . . 25.0 111.089 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.78 -35.0 79.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 25.0 110.466 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -70.21 -46.55 64.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.653 0.739 . . . . 25.0 109.622 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 t -68.84 -19.65 64.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -25.38 67.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.371 . . . . 25.0 111.201 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -112.96 -8.11 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.732 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.44 80.3 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.814 1.292 . . . . 25.0 107.874 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -71.18 -16.54 62.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.172 -1.376 . . . . 25.0 112.683 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.92 -28.19 13.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 25.0 111.695 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.1 59.89 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-N 115.252 -0.885 . . . . 25.0 114.594 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.25 -12.28 59.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.64 21.47 50.79 Favored Glycine 0 C--O 1.243 0.677 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.13 167.01 21.75 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.073 0.549 . . . . 25.0 109.706 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -135.46 164.52 32.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 104.88 -2.267 . . . . 25.0 104.88 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -79.45 158.38 27.31 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 p -55.92 -35.32 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 25.0 112.183 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.54 -25.56 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.72 -9.95 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.089 0.471 . . . . 25.0 111.957 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.72 -38.74 70.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.412 0.625 . . . . 25.0 110.746 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.2 -26.41 74.15 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.752 -0.737 . . . . 25.0 112.998 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -40.1 19.66 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.256 -0.556 . . . . 25.0 111.211 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.59 -46.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.762 0.315 . . . . 25.0 110.761 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.6 mtt -64.72 -36.8 85.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.587 -0.696 . . . . 25.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -60.9 -35.63 77.17 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 t -68.98 -21.78 64.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -86.39 5.85 32.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.401 0.619 . . . . 25.0 109.852 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.92 66.17 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -145.02 123.17 12.15 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 118.841 1.32 . . . . 25.0 110.872 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -87.82 150.44 48.04 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.17 167.3 26.2 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 117.601 -1.133 . . . . 25.0 109.567 175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -72.35 160.8 31.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.731 -1.951 . . . . 25.0 105.731 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -62.01 -32.62 73.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.17 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.411 0.148 . . . . 25.0 110.896 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.11 -46.09 92.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.117 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.22 -42.65 93.23 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.933 -0.307 . . . . 25.0 111.142 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.85 -43.24 96.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.801 0.334 . . . . 25.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.43 -30.77 71.6 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.249 0.547 . . . . 25.0 111.73 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.0 mt -69.36 -39.52 78.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.69 -33.14 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.335 -0.228 . . . . 25.0 110.855 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -55.44 -38.99 69.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.076 0.398 . . . . 25.0 111.336 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 HG12 ' A' ' 63' ' ' ILE . 91.9 t -93.73 -37.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -65.67 -14.57 61.5 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.679 -0.638 . . . . 25.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.66 96.72 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.699 -0.228 . . . . 25.0 111.157 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.68 -24.27 17.93 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.2 22.18 38.97 Favored Glycine 0 N--CA 1.454 -0.159 0 N-CA-C 115.801 1.08 . . . . 25.0 115.801 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.5 -29.6 69.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.588 1.194 . . . . 25.0 111.697 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.12 26.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 114.827 0.691 . . . . 25.0 114.827 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p -129.09 150.04 50.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.086 0.554 . . . . 25.0 109.951 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 55' ' ' VAL . 76.5 mt -120.17 124.52 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.05 170.97 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.331 1.062 . . . . 25.0 110.154 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -64.53 -45.87 77.04 Favored Pre-proline 0 CA--C 1.545 0.771 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.78 -23.42 48.28 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 112.85 -4.3 . . . . 25.0 114.123 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.93 -39.84 72.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.8 -43.23 80.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.29 -33.18 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.161 -0.337 . . . . 25.0 111.253 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 m -65.94 -38.3 88.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.133 -0.354 . . . . 25.0 110.988 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 mmt . . . . . 0 N--CA 1.468 0.461 0 O-C-N 121.361 -0.837 . . . . 25.0 109.186 175.617 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 . . . . . 0 C--O 1.216 -0.676 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.41 -43.0 88.44 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.845 0.748 . . . . 25.0 110.017 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.5 -41.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.741 0.781 . . . . 25.0 108.953 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.79 -44.65 92.72 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.452 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.11 -43.46 95.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.594 0.634 . . . . 25.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.39 -36.44 71.28 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.262 -0.426 . . . . 25.0 112.073 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -86.47 -38.67 17.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.04 -11.22 60.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.11 -18.33 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -107.13 9.26 30.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.931 0.492 . . . . 25.0 111.544 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.17 104.62 3.13 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.452 0.644 . . . . 25.0 110.141 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.36 -49.75 71.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 115.589 1.7 . . . . 25.0 115.589 -172.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -119.55 8.24 11.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.218 0.532 . . . . 25.0 110.584 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.06 20.42 79.69 Favored Glycine 0 C--O 1.236 0.227 0 N-CA-C 109.996 -1.242 . . . . 25.0 109.996 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -109.88 12.57 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.31 8.69 70.98 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 120.834 -0.698 . . . . 25.0 114.434 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -116.91 141.72 47.87 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.473 0.636 . . . . 25.0 111.515 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 pt -126.79 163.43 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -74.35 148.8 40.97 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.82 66.24 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.338 0.59 . . . . 25.0 110.575 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.36 74.14 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.952 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.86 -29.33 63.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.104 0.478 . . . . 25.0 111.613 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.26 -37.43 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.286 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.08 -26.31 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -68.97 -37.94 79.09 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 118.318 -1.353 . . . . 25.0 107.871 178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -59.81 -47.39 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -172.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.54 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -82.4 -13.09 57.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.462 0.541 . . . . 25.0 112.462 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -93.04 -25.86 17.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.776 0.322 . . . . 25.0 111.28 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.93 -2.73 27.22 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.22 160.31 32.46 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 119.859 -1.162 . . . . 25.0 114.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.09 47.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.32 134.49 38.5 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 106.316 -1.735 . . . . 25.0 106.316 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.66 -19.41 13.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 117.387 2.365 . . . . 25.0 117.387 -172.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -122.56 141.94 51.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.623 0.647 . . . . 25.0 110.602 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -64.46 -36.81 85.4 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.605 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.17 -27.43 68.4 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.98 -33.1 59.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.674 0.75 . . . . 25.0 109.184 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.14 -35.3 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.407 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.23 -42.42 81.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.678 -0.692 . . . . 25.0 112.29 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.34 -28.69 69.47 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.6 ttm -73.08 -41.99 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.699 0.761 . . . . 25.0 109.763 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.55 -42.1 94.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.74 -26.61 35.2 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.16 -26.16 61.09 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.92 15.35 2.67 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.788 2.514 . . . . 25.0 117.788 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.3 142.44 27.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.771 1.169 . . . . 25.0 112.839 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.5 mt -130.9 115.62 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.43 -1.29 45.16 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -48.71 -42.43 28.28 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.09 9.63 7.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.759 0.79 . . . . 25.0 109.5 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.66 15.93 73.74 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.219 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -117.92 152.23 35.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.613 0.365 . . . . 25.0 110.27 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.9 143.84 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -87.21 114.64 23.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -70.39 -17.32 63.03 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.193 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.29 -44.57 88.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.16 -23.94 47.47 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.592 -0.693 . . . . 25.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -34.01 69.21 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.63 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -59.43 -40.09 85.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.7 ttm -64.97 -43.98 90.87 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.057 0.456 . . . . 25.0 110.882 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 61.2 mtt -72.02 -12.5 61.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.238 0.484 0 CA-C-O 121.117 0.484 . . . . 25.0 110.253 179.442 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.843 0.354 . . . . 25.0 110.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -69.76 -34.61 74.02 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.874 -0.516 . . . . 25.0 109.864 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -65.57 -38.19 81.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.8 96.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.093 -0.336 . . . . 25.0 110.093 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.59 -40.85 98.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.957 0.408 . . . . 25.0 110.294 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.73 -34.13 76.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.78 -35.72 62.54 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.551 -0.46 . . . . 25.0 112.148 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.54 75.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.923 0.392 . . . . 25.0 111.36 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.72 -45.76 42.05 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.402 0.62 . . . . 25.0 110.148 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 11.7 t -68.5 -14.88 63.31 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.173 0.589 . . . . 25.0 112.092 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.08 -25.03 65.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.406 0.622 . . . . 25.0 109.577 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CD2' HG22 ' A' ' 35' ' ' VAL . 97.5 m-85 -111.4 -26.2 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.02 -0.991 . . . . 25.0 113.088 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 43.0 t0 -78.41 85.97 4.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.661 0.743 . . . . 25.0 109.128 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.04 -5.18 34.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.86 -25.69 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.221 0.534 . . . . 25.0 109.9 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.9 21.19 37.03 Favored Glycine 0 N--CA 1.453 -0.186 0 CA-C-N 115.879 -0.6 . . . . 25.0 114.36 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -91.35 -9.88 43.27 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.412 0.606 . . . . 25.0 112.314 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.5 10.5 79.56 Favored Glycine 0 C--O 1.241 0.573 0 C-N-CA 121.241 -0.504 . . . . 25.0 113.63 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -124.27 165.47 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -137.58 165.52 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.22 -2.511 . . . . 25.0 104.22 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.2 p -83.98 160.36 21.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -58.77 -31.44 68.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.77 0.795 . . . . 25.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.58 -37.53 86.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.827 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -73.87 -8.69 57.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.59 -37.58 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 25.0 110.588 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.29 97.83 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 120.535 -0.841 . . . . 25.0 111.826 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -41.62 58.66 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.686 -0.303 . . . . 25.0 111.708 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' CD2' ' A' ' 19' ' ' PHE . 79.7 t -66.98 -44.62 88.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 N-CA-C 110.553 -0.166 . . . . 25.0 110.553 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.65 -35.33 77.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.041 -1.037 . . . . 25.0 109.345 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -67.63 -27.69 67.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.5 p -73.07 -15.87 61.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.794 0.725 . . . . 25.0 111.591 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.21 -7.16 50.24 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.229 0.538 . . . . 25.0 109.963 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.18 -5.02 78.18 Favored Glycine 0 C--O 1.229 -0.181 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.233 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -139.3 123.13 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -94.98 144.94 28.65 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.52 172.22 16.62 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 117.496 -1.203 . . . . 25.0 109.741 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.05 146.63 54.13 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 174.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.32 -25.82 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.51 57.46 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.75 -27.82 65.26 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.34 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.3 -41.03 98.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -71.12 -38.96 72.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -58.29 -44.54 88.54 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.771 0.319 . . . . 25.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtt -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.825 0.345 . . . . 25.0 111.891 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.25 -41.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.84 -35.86 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 110.239 -0.282 . . . . 25.0 110.239 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.94 -33.42 73.15 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 122.327 -0.233 . . . . 25.0 111.103 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -89.29 -31.66 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.059 0.457 . . . . 25.0 111.501 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.93 -10.09 8.66 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.069 -0.394 . . . . 25.0 111.451 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.64 73.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.407 0.283 . . . . 25.0 110.698 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.36 -26.88 24.59 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.96 0.886 . . . . 25.0 109.676 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.74 9.24 87.25 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.2 -0.909 . . . . 25.0 114.94 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.74 -28.26 67.49 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.55 7.43 87.15 Favored Glycine 0 C--O 1.243 0.672 0 C-N-CA 121.522 -0.37 . . . . 25.0 113.464 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.1 p -129.22 162.42 27.88 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.1 mt -132.55 121.29 44.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 102.922 -2.992 . . . . 25.0 102.922 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.03 177.95 5.91 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 105.406 -2.072 . . . . 25.0 105.406 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.83 -43.82 99.52 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 115.246 1.573 . . . . 25.0 115.246 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 -30.28 28.62 Favored 'Trans proline' 0 C--N 1.357 1.001 1 C-N-CA 113.146 -4.102 . . . . 25.0 115.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.42 -36.56 79.26 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.602 1.092 . . . . 25.0 108.77 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.88 -41.09 95.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.05 -35.4 71.92 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 122.259 -0.276 . . . . 25.0 111.674 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.3 m -59.33 -36.59 75.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.449 0.642 . . . . 25.0 109.944 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.82 -12.39 53.87 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 C--O 1.218 -0.6 0 O-C-N 121.419 -0.801 . . . . 25.0 109.448 176.664 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.76 -41.9 91.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -66.31 -39.49 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.13 -45.79 90.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.151 -0.932 . . . . 25.0 111.02 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.71 -44.03 91.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.642 0.656 . . . . 25.0 110.444 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.6 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 25.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -18.76 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -69.86 -15.06 63.02 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.075 -1.016 . . . . 25.0 110.993 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -25.25 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.919 0.39 . . . . 25.0 109.976 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -105.53 6.2 32.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.3 129.69 40.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.94 -44.32 69.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -128.82 -1.89 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.0 6.41 75.61 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.94 7.91 36.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.972 0.386 . . . . 25.0 111.772 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.12 25.0 46.17 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 120.918 -0.658 . . . . 25.0 114.687 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -128.42 143.99 51.07 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 117.235 0.517 . . . . 25.0 110.035 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.8 pt -138.46 163.12 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -79.12 150.58 31.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.94 65.96 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.268 0.556 . . . . 25.0 110.175 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.28 90.49 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.186 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -35.07 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.29 -40.82 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -59.7 -36.72 77.08 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.53 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -65.22 -44.39 88.43 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.691 -0.404 . . . . 25.0 110.678 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.36 -44.59 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -62.0 -41.69 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -74.24 -14.93 60.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.434 -0.791 . . . . 25.0 110.915 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.97 -4.49 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.218 -0.301 . . . . 25.0 111.57 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.73 -28.43 68.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.048 0.451 . . . . 25.0 111.435 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.16 159.07 32.15 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.633 -0.987 . . . . 25.0 110.633 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.61 140.57 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 63.95 30.68 14.13 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 139.5 54.92 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.263 -1.755 . . . . 25.0 106.263 173.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -84.52 149.1 26.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.512 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 -39.6 91.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.44 -38.8 85.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 25.0 111.46 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.8 -38.09 88.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.532 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.36 -42.1 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.019 -0.537 . . . . 25.0 109.74 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.6 -21.21 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 78.9 mtm -76.44 -40.11 51.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.402 0.62 . . . . 25.0 109.788 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.73 -35.0 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.95 -22.03 34.77 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.97 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 25.0 111.987 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.44 156.65 20.74 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.563 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.64 74.72 2.02 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.575 0.702 . . . . 25.0 111.546 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.09 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.822 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.92 -2.28 11.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.33 -59.9 4.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.07 -1.062 . . . . 25.0 112.565 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.03 -2.33 7.08 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.68 -2.36 79.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 108.478 -1.849 . . . . 25.0 108.478 -171.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.96 157.3 26.99 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.61 158.81 43.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -79.1 152.31 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.443 -2.058 . . . . 25.0 105.443 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -37.04 7.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.515 1.302 . . . . 25.0 114.515 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.13 -34.86 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.99 -33.42 51.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.02 -43.84 91.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.986 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.3 -33.28 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.579 -0.701 . . . . 25.0 109.521 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -70.47 -38.17 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.32 -0.238 . . . . 25.0 110.692 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.69 -41.42 98.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.983 0.421 . . . . 25.0 110.739 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.9 mtm -72.8 -13.15 61.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.73 0.3 . . . . 25.0 111.316 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 124.651 1.18 . . . . 25.0 111.052 -178.551 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 120.701 0.286 . . . . 25.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -72.56 -38.45 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.09 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.48 98.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.711 -0.222 . . . . 25.0 111.379 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.46 -42.34 99.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.258 0.551 . . . . 25.0 110.653 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.93 -37.55 86.34 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.921 -0.487 . . . . 25.0 110.089 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.02 -40.69 82.89 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 119.348 -0.358 . . . . 25.0 110.597 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -62.56 -44.37 96.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.492 0.587 . . . . 25.0 111.308 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.59 82.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.123 0.487 . . . . 25.0 110.748 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.49 -45.05 66.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.224 0.535 . . . . 25.0 110.342 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -66.5 -22.91 66.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -24.67 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.05 0.452 . . . . 25.0 110.599 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -120.66 2.74 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.383 0.883 . . . . 25.0 113.383 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -81.0 76.91 7.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -79.04 -16.5 56.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.757 -1.111 . . . . 25.0 113.611 -172.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -94.32 -28.03 15.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.218 0.532 . . . . 25.0 110.7 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.5 7.24 61.98 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.996 -0.547 . . . . 25.0 113.318 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.9 -3.43 51.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.836 0.351 . . . . 25.0 111.94 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.15 53.81 Favored Glycine 0 C--O 1.242 0.619 0 N-CA-C 110.603 -0.999 . . . . 25.0 110.603 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.8 p -133.28 162.83 30.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.086 0.47 . . . . 25.0 110.315 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 pt -133.22 166.62 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 104.346 -2.465 . . . . 25.0 104.346 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.1 p -96.69 166.01 11.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.0 p -58.93 -25.77 63.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.709 . . . . 25.0 111.16 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -79.58 -34.2 41.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -77.44 -18.51 57.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.808 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.2 -39.91 70.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.16 0.505 . . . . 25.0 110.217 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.87 -36.85 93.83 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.72 -0.752 . . . . 25.0 112.091 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -38.46 65.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.35 -0.5 . . . . 25.0 111.538 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.18 -49.33 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -45.5 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 25.0 110.366 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -62.12 -36.64 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 m -70.33 -30.68 67.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.686 0.279 . . . . 25.0 110.679 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.56 -3.58 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 111.03 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 -0.36 89.31 Favored Glycine 0 C--O 1.227 -0.339 0 C-N-CA 121.519 -0.372 . . . . 25.0 112.806 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -85.03 125.69 32.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -107.16 91.93 7.26 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.106 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.91 152.78 58.06 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 115.192 -2.739 . . . . 25.0 109.805 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.6 p -71.34 163.19 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.27 -36.84 78.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.868 0.366 . . . . 25.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.52 78.11 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.13 -43.58 98.52 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.04 -41.26 91.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.29 -50.35 63.98 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.314 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.79 -35.28 77.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.416 0.525 . . . . 25.0 112.416 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.71 -29.78 70.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 25.0 110.203 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.1 mt -83.91 -32.9 8.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.099 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.95 -36.55 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.757 0.708 . . . . 25.0 110.114 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.5 -34.24 72.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.548 . . . . 25.0 111.159 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -86.3 -34.34 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.518 0.675 . . . . 25.0 110.547 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -64.69 -19.36 65.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.248 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.46 77.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.499 -0.319 . . . . 25.0 111.239 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.81 -26.95 16.01 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.03 0.919 . . . . 25.0 109.285 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.24 6.04 89.41 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.158 -0.928 . . . . 25.0 114.796 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -71.21 -28.91 64.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.686 0.743 . . . . 25.0 111.426 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.14 78.12 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.2 p -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.504 0.652 . . . . 25.0 110.414 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.5 mt -134.13 121.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.793 -1.558 . . . . 25.0 106.793 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 166.61 20.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.208 0.528 . . . . 25.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -58.1 -45.93 99.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.15 -29.8 47.22 Favored 'Trans proline' 0 C--N 1.356 0.954 1 C-N-CA 112.879 -4.28 . . . . 25.0 114.428 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.05 -32.26 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.815 -0.553 . . . . 25.0 109.572 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -64.22 -43.61 94.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 m -63.35 -41.14 98.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.705 0.288 . . . . 25.0 110.541 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.9 tpp -61.88 -40.54 95.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.949 -0.469 . . . . 25.0 110.322 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtm . . . . . 0 C--O 1.222 -0.39 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.343 177.408 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.216 -0.679 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.91 -45.27 86.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.659 0.742 . . . . 25.0 110.638 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.03 -42.4 59.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.551 . . . . 25.0 109.936 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -69.04 -26.52 65.02 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.041 -0.664 . . . . 25.0 111.253 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.94 -45.83 93.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.967 -0.458 . . . . 25.0 111.28 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.85 -13.81 58.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.813 1.412 . . . . 25.0 114.813 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -61.84 -23.22 66.12 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.8 -15.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -105.3 -7.34 18.95 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.686 0.394 . . . . 25.0 111.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -67.86 129.17 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -66.14 -50.11 65.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -129.65 3.84 5.02 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.56 39.66 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.362 -0.695 . . . . 25.0 111.362 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -110.31 2.7 19.31 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.19 -0.45 89.37 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.74 -0.743 . . . . 25.0 112.719 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -109.94 133.21 53.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.099 0.476 . . . . 25.0 110.564 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -137.26 165.33 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -72.02 149.85 44.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.7 -29.34 68.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.293 0.568 . . . . 25.0 109.943 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.61 90.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.369 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.25 -35.49 71.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.353 0.596 . . . . 25.0 109.661 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.14 -44.78 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -68.37 -27.3 66.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.889 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -61.77 -47.53 84.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -43.34 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.27 -46.07 89.51 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 111.894 0.331 . . . . 25.0 111.894 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.9 m -65.61 -36.65 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.909 0.385 . . . . 25.0 110.739 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.17 -30.73 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.35 -4.68 38.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 25.0 111.656 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.92 94.45 0.1 Allowed Glycine 0 C--O 1.229 -0.214 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.872 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.43 148.0 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.345 0.593 . . . . 25.0 110.341 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -131.91 151.45 51.7 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.16 -47.23 80.67 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.244 -0.182 . . . . 25.0 110.788 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.5 p -123.26 149.36 44.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.28 -29.54 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.643 0.735 . . . . 25.0 109.028 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -56.97 -36.41 70.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.543 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.17 -17.05 61.41 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.658 -0.651 . . . . 25.0 111.823 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.8 t -91.0 -35.74 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.8 -37.36 78.92 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.212 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 tpp -74.5 -39.31 62.49 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.028 0.918 . . . . 25.0 110.179 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.15 -34.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.974 -1.012 . . . . 25.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.86 -30.58 65.92 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.143 1.164 . . . . 25.0 114.143 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.67 -29.25 64.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.298 0.57 . . . . 25.0 111.703 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.72 153.57 30.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.528 0.68 . . . . 25.0 111.721 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.06 142.85 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.78 161.95 40.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.19 157.85 33.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.363 0.601 . . . . 25.0 110.241 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.94 -16.17 56.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -106.64 13.55 28.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.049 0.925 . . . . 25.0 111.479 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.59 34.58 19.05 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 115.603 1.001 . . . . 25.0 115.603 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.15 161.42 17.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.93 0.365 . . . . 25.0 110.687 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.09 154.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -89.47 100.03 12.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.114 -1.81 . . . . 25.0 106.114 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -60.31 -25.57 65.87 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.76 -39.78 92.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.907 0.384 . . . . 25.0 111.837 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -78.16 -27.52 48.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -33.39 68.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.782 -0.574 . . . . 25.0 109.674 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -43.26 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 107.578 -1.267 . . . . 25.0 107.578 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.87 -42.69 99.35 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.361 . . . . 25.0 111.664 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -75.01 -25.31 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 -175.471 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.224 -0.272 0 CA-C-O 121.284 0.564 . . . . 25.0 109.526 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.259 -0.428 . . . . 25.0 109.94 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.31 -39.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.6 98.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.244 -0.285 . . . . 25.0 111.029 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -43.71 98.13 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.107 -0.371 . . . . 25.0 110.551 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.64 -36.9 85.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -64.41 -40.11 95.13 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.525 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.28 -45.73 91.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.696 0.68 . . . . 25.0 109.866 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.83 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.758 0.314 . . . . 25.0 111.646 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.07 -44.39 69.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.047 0.451 . . . . 25.0 110.662 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.8 t -64.19 -22.98 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.665 0.386 . . . . 25.0 111.981 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -25.76 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.878 0.37 . . . . 25.0 110.53 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.43 -1.93 12.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.23 70.31 5.59 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -73.33 -26.25 60.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.388 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -79.13 -28.22 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.09 -3.23 69.74 Favored Glycine 0 N--CA 1.46 0.278 0 N-CA-C 116.576 1.39 . . . . 25.0 116.576 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -91.33 5.78 47.93 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 117.493 0.647 . . . . 25.0 110.958 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 28.04 40.83 Favored Glycine 0 CA--C 1.511 -0.195 0 C-N-CA 120.331 -0.938 . . . . 25.0 111.362 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -129.72 152.73 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 pt -131.66 175.36 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 174.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 15.7 p -102.27 160.65 14.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 p -56.53 -37.4 70.42 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.52 -27.83 69.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.669 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -87.72 -8.98 55.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.81 -39.59 77.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.65 96.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 25.0 111.523 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -40.4 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.463 -0.433 . . . . 25.0 111.429 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.36 -45.27 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.12 -42.28 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.994 -0.441 . . . . 25.0 110.301 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -68.31 -22.16 64.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -74.79 -21.33 59.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 mt -82.02 -0.02 42.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -4.79 85.69 Favored Glycine 0 C--O 1.229 -0.2 0 CA-C-N 116.225 -0.443 . . . . 25.0 114.114 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -103.73 134.18 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -87.96 130.61 45.87 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.35 152.48 55.22 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 114.929 -2.914 . . . . 25.0 109.959 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.7 144.06 31.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.67 -36.16 80.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.39 -54.22 26.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.067 0.46 . . . . 25.0 110.763 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.44 -34.13 77.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.583 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 25.0 109.802 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.4 -42.12 75.51 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.18 -46.17 83.06 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.396 0.617 . . . . 25.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.97 -32.74 74.38 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -77.88 -36.87 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.1 -36.44 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 25.0 111.451 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 -38.01 13.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.511 0.672 . . . . 25.0 110.581 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -68.02 -14.71 63.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.481 . . . . 25.0 110.46 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.62 81.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.417 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -92.1 -24.58 19.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.85 6.07 82.99 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 118.078 1.991 . . . . 25.0 118.078 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.2 -28.99 66.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.825 1.312 . . . . 25.0 112.227 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.31 13.9 68.23 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.083 -0.579 . . . . 25.0 114.172 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 36.1 p -124.74 158.23 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.29 122.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.866 -1.901 . . . . 25.0 105.866 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.09 171.53 11.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.733 0.778 . . . . 25.0 109.015 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.59 -46.53 76.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -66.24 -24.81 50.55 Favored 'Trans proline' 0 C--N 1.357 0.981 1 C-N-CA 112.844 -4.304 . . . . 25.0 113.686 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.47 -39.13 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.16 -40.22 95.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.929 -0.482 . . . . 25.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 m -65.09 -37.91 89.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.349 0.595 . . . . 25.0 110.322 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.4 ttm -62.83 -41.46 99.34 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.2 mmt . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 25.0 110.902 178.412 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -62.58 -40.34 96.57 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.01 -40.89 88.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -66.21 -32.54 74.03 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.834 -0.346 . . . . 25.0 111.34 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.68 -42.88 93.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.371 . . . . 25.0 110.458 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.48 83.78 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.347 0.594 . . . . 25.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -84.38 -10.18 57.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.53 -32.02 69.93 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -173.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.31 -16.75 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.34 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.06 -34.94 10.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -85.8 49.72 1.83 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 105.659 -1.978 . . . . 25.0 105.659 172.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.6 -43.14 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 113.553 -1.658 . . . . 25.0 113.623 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 6.97 47.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.189 -0.459 . . . . 25.0 112.035 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.74 34.65 89.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.404 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -16.16 24.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 -173.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.94 88.33 Favored Glycine 0 N--CA 1.46 0.298 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -135.97 137.75 41.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 103.883 -2.636 . . . . 25.0 103.883 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.45 158.86 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -67.98 149.3 49.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.09 67.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.193 0.521 . . . . 25.0 111.19 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.54 93.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.959 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.57 -39.05 81.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.125 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -66.1 -40.11 90.5 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.096 -0.642 . . . . 25.0 109.425 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -62.31 -37.46 85.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -61.41 -45.26 95.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.426 -0.213 . . . . 25.0 110.426 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.7 -45.15 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 121.089 0.471 . . . . 25.0 109.769 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.9 mtt -63.49 -36.15 82.81 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.351 0.871 . . . . 25.0 113.351 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.4 t -87.02 -8.89 56.71 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.136 0.421 . . . . 25.0 112.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -69.67 -27.33 64.94 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.36 -12.28 59.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.059 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 170.94 12.43 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 109.626 -1.39 . . . . 25.0 109.626 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.24 162.26 29.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -123.69 164.78 18.43 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -64.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -174.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.0 p -119.07 157.31 28.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.662 0.267 . . . . 25.0 110.318 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -76.08 -30.08 58.18 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.39 -25.2 67.46 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.22 -35.76 78.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.954 0.883 . . . . 25.0 108.631 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.61 -47.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.638 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -56.9 -38.64 73.1 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -37.3 76.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.909 0.777 . . . . 25.0 111.235 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.4 mtm -72.6 -37.56 68.07 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.722 -0.611 . . . . 25.0 110.961 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.6 mm -70.46 -26.58 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.67 -18.25 63.77 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.24 -31.34 68.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.723 0.773 . . . . 25.0 109.934 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.25 167.34 15.74 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.378 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -81.47 72.39 8.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.977 1.103 . . . . 25.0 113.977 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.78 -42.04 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -83.08 -8.39 59.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.8 -63.05 1.22 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 119.879 -1.153 . . . . 25.0 113.847 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -125.87 -10.24 6.64 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.509 0.671 . . . . 25.0 111.211 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.58 24.53 65.0 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.776 -0.725 . . . . 25.0 112.452 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.54 167.98 10.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.136 0.493 . . . . 25.0 111.181 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.73 144.97 35.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -84.19 94.96 8.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.31 -34.86 77.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.301 -0.863 . . . . 25.0 112.788 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.14 -37.97 70.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -88.91 -36.52 15.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.754 0.788 . . . . 25.0 110.151 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -33.26 70.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.4 0.518 . . . . 25.0 112.4 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.7 -39.05 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -81.09 -27.62 35.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.634 0.652 . . . . 25.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.0 ttp -68.31 -37.96 81.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.781 0.324 . . . . 25.0 110.879 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.1 mtt -63.08 -23.08 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.917 -0.129 . . . . 25.0 110.913 -178.495 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 120.791 0.329 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -70.65 -30.55 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.081 -0.387 . . . . 25.0 110.701 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.37 -36.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.39 90.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.192 -0.318 . . . . 25.0 110.591 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.42 -42.25 96.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.175 0.512 . . . . 25.0 109.923 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -63.28 -39.02 93.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.02 -36.84 75.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -41.03 96.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.936 0.789 . . . . 25.0 109.447 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.176 0.513 . . . . 25.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -69.25 -45.89 68.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.421 0.629 . . . . 25.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -70.75 -20.71 62.6 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.245 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -22.62 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.48 -1.67 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -71.61 125.65 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.188 -2.523 . . . . 25.0 104.188 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -97.95 -16.78 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.7 -27.93 4.99 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.97 9.9 44.25 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -75.62 -9.53 58.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.14 27.87 32.48 Favored Glycine 0 C--O 1.237 0.334 0 N-CA-C 110.869 -0.892 . . . . 25.0 110.869 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.3 p -133.8 159.26 41.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 pt -138.37 167.02 22.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.569 -2.012 . . . . 25.0 105.569 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 81.4 p -89.89 162.85 15.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -59.16 -36.16 74.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.234 0.54 . . . . 25.0 111.866 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -68.48 -27.9 66.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.966 -0.458 . . . . 25.0 111.303 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -17.42 59.03 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.206 -0.309 . . . . 25.0 110.726 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -36.09 72.49 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 110.534 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.29 -37.79 93.59 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.634 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.88 66.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.279 -0.542 . . . . 25.0 111.299 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.46 -47.81 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.71 -38.01 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.374 0.607 . . . . 25.0 110.094 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -65.79 -34.17 77.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.558 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -66.73 -32.23 73.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.969 0.35 . . . . 25.0 110.102 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.96 2.02 18.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.323 0.582 . . . . 25.0 110.428 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.11 -4.88 86.02 Favored Glycine 0 C--O 1.234 0.148 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.43 135.01 37.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.5 0.667 . . . . 25.0 110.431 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.62 91.96 48.6 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.37 164.32 35.48 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 118.412 -0.592 . . . . 25.0 111.268 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -73.67 162.28 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.84 -36.67 79.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.121 -0.362 . . . . 25.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.64 71.83 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.813 0.339 . . . . 25.0 110.722 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.26 -34.86 78.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.335 0.588 . . . . 25.0 110.374 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.87 -42.09 97.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.33 -40.87 85.95 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.442 -0.344 . . . . 25.0 111.15 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -60.87 -41.61 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.987 0.358 . . . . 25.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.6 mtm -65.79 -32.94 74.76 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.12 0.486 . . . . 25.0 110.882 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.65 -37.74 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.282 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.13 -40.0 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.61 -9.15 59.27 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 52.8 t -110.37 -42.9 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -89.55 43.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.848 0.832 . . . . 25.0 110.8 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.51 -23.35 67.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.617 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -82.54 -17.21 45.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.396 0.617 . . . . 25.0 111.17 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.72 18.12 73.75 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 115.309 0.883 . . . . 25.0 115.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -73.33 -23.54 60.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 117.235 0.517 . . . . 25.0 111.654 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.71 22.87 59.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 25.0 111.413 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 40.7 p -129.57 155.72 45.34 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.677 0.391 . . . . 25.0 111.974 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -136.89 125.95 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.57 165.61 13.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.869 0.842 . . . . 25.0 109.815 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -61.12 -43.51 90.83 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 115.993 1.849 . . . . 25.0 115.993 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.54 -29.48 44.35 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 112.933 -4.245 . . . . 25.0 114.864 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.54 -36.61 68.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.798 0.808 . . . . 25.0 108.919 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.07 -41.62 98.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.54 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.15 -35.95 80.79 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 122.012 -0.43 . . . . 25.0 111.428 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -60.46 -37.9 82.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.8 tpp -58.85 -44.74 91.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 25.0 110.454 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.549 0.69 . . . . 25.0 110.857 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 116.433 2.012 . . . . 25.0 116.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.38 -45.64 92.25 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.702 -0.799 . . . . 25.0 109.124 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.0 mt -64.92 -38.74 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -63.17 -44.31 95.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.964 -1.017 . . . . 25.0 113.242 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.98 -28.71 20.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 115.32 1.6 . . . . 25.0 115.32 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.08 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -78.62 -15.52 58.43 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.572 -0.705 . . . . 25.0 112.869 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -70.49 -29.9 66.56 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.768 -0.583 . . . . 25.0 112.341 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.65 -9.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -109.52 6.64 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.853 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -76.23 100.24 5.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.9 0.857 . . . . 25.0 109.446 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -63.58 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -119.15 -4.71 10.51 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.56 25.78 73.3 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.047 -1.221 . . . . 25.0 110.047 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -123.35 8.41 9.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.73 3.44 90.34 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.72 134.74 54.85 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.441 1.121 . . . . 25.0 112.821 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.71 165.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.587 -1.634 . . . . 25.0 106.587 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 47.9 t -79.09 156.91 28.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.42 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.517 0.675 . . . . 25.0 110.812 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.5 87.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.153 0.501 . . . . 25.0 110.507 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.78 -37.88 64.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.17 -47.63 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -37.02 76.08 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 121.004 -0.278 . . . . 25.0 110.457 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -60.32 -46.39 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.793 -0.363 . . . . 25.0 110.953 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.57 -44.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -41.07 86.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.259 0.466 . . . . 25.0 112.259 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.2 p -75.94 -8.28 56.56 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.04 -29.13 13.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 25.0 110.107 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.6 tp -94.61 -33.17 13.1 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.95 141.38 23.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.741 1.056 . . . . 25.0 115.741 -175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.33 -3.4 57.45 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.047 0.451 . . . . 25.0 111.898 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.34 119.78 10.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.04 -8.09 58.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.993 1.108 . . . . 25.0 113.993 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -118.98 136.04 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.325 -0.25 . . . . 25.0 110.325 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.55 -41.21 97.04 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -59.72 -36.1 75.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -71.02 -22.35 62.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.717 -0.614 . . . . 25.0 111.424 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -84.07 -44.39 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.666 -1.605 . . . . 25.0 106.666 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.7 -34.42 77.82 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.714 -1.13 . . . . 25.0 111.97 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -50.6 -49.34 56.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.122 0.487 . . . . 25.0 111.358 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.3 ttp -65.08 -41.18 95.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.601 0.715 . . . . 25.0 111.169 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.55 -39.62 78.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.133 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -62.76 -24.9 67.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.33 -32.29 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.64 -40.37 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 105.34 11.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.087 0.946 . . . . 25.0 112.47 -173.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 pt -75.62 114.56 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.132 -0.94 . . . . 25.0 113.436 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.63 -18.06 50.99 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.699 -0.682 . . . . 25.0 112.025 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.9 85.02 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.216 -0.516 . . . . 25.0 112.858 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 -27.61 7.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.816 0.341 . . . . 25.0 110.919 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.19 -5.95 24.22 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 116.598 -0.274 . . . . 25.0 113.333 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 39.5 mt-30 -117.95 149.73 40.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.561 0.745 . . . . 25.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.05 150.53 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 25.0 111.488 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.08 100.04 12.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.403 -1.702 . . . . 25.0 106.403 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -62.92 -15.53 55.79 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.14 -34.98 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.977 -0.452 . . . . 25.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -73.56 -28.39 61.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -35.42 74.74 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.32 -34.43 77.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 25.0 111.102 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.7 tpp -66.97 -33.47 75.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.878 0.371 . . . . 25.0 111.37 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.5 -16.89 60.83 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.163 -0.336 . . . . 25.0 110.866 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.403 0.62 . . . . 25.0 109.735 179.403 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 . . . . . 0 C--O 1.223 -0.333 0 CA-C-O 120.958 0.408 . . . . 25.0 110.747 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -66.83 -38.06 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.6 mt -66.72 -38.09 80.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.82 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.384 -0.371 . . . . 25.0 110.029 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.06 -41.52 96.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.385 0.612 . . . . 25.0 110.084 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -65.54 -34.71 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.87 -0.519 . . . . 25.0 110.623 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -66.14 -39.5 89.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.494 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -67.16 -39.17 86.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -31.84 73.17 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.939 0.399 . . . . 25.0 111.315 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -71.59 -44.79 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -65.87 -14.34 61.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.64 -25.13 66.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.458 . . . . 25.0 111.407 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -110.54 -2.53 16.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -78.88 102.77 8.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.35 1.071 . . . . 25.0 109.145 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -69.8 -24.66 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.54 -1.209 . . . . 25.0 113.771 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.34 -27.07 9.24 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.66 59.2 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.58 0.992 . . . . 25.0 115.58 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.68 -4.71 58.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.568 0.684 . . . . 25.0 112.18 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 27.96 12.14 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 112.01 -0.436 . . . . 25.0 112.01 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -132.68 157.06 45.81 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 35' ' ' VAL . 36.4 pt -136.01 167.91 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 p -84.35 166.32 17.5 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -56.56 -38.81 72.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 25.0 110.717 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -63.52 -37.11 86.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 25.0 111.755 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -12.85 61.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -39.01 70.62 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.152 0.501 . . . . 25.0 110.844 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.77 95.07 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 120.611 -0.804 . . . . 25.0 111.995 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -39.96 70.11 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.65 -0.324 . . . . 25.0 111.831 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG21 HD13 ' A' ' 27' ' ' ILE . 56.2 t -64.84 -45.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ttt -60.26 -39.05 85.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -67.23 -32.32 73.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -73.85 -23.17 59.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.709 0.686 . . . . 25.0 109.793 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.36 -7.51 55.14 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.84 -4.92 36.52 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 117.021 1.569 . . . . 25.0 117.021 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -144.97 123.77 12.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.978 1.389 . . . . 25.0 111.924 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -106.42 145.49 31.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 121.894 -0.504 . . . . 25.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.07 171.64 14.95 Favored 'Trans proline' 0 C--O 1.24 0.607 0 N-CA-C 110.236 -0.717 . . . . 25.0 110.236 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -70.86 149.3 46.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.078 -2.193 . . . . 25.0 105.078 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.76 -28.06 68.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.53 95.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.94 0.4 . . . . 25.0 110.625 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -77.34 -26.97 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.061 0.457 . . . . 25.0 110.012 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.07 -43.42 95.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.47 -37.29 82.69 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.82 -44.68 90.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.012 0.434 . . . . 25.0 111.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.9 mtm -68.49 -35.54 77.66 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.434 0.635 . . . . 25.0 111.185 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.11 -34.24 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.156 -0.474 . . . . 25.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.61 -34.52 51.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.201 -0.312 . . . . 25.0 111.178 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.66 -39.16 90.38 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.753 0.706 . . . . 25.0 110.814 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -81.4 -37.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.456 0.646 . . . . 25.0 111.249 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -72.39 -18.42 61.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.097 -0.377 . . . . 25.0 110.49 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.42 79.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.71 -25.5 49.42 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.38 71.49 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.426 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -68.91 -33.94 74.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.02 -9.89 3.58 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 116.568 1.387 . . . . 25.0 116.568 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -132.23 163.96 27.44 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.332 1.066 . . . . 25.0 110.926 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -135.06 124.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 164.5 20.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.344 0.592 . . . . 25.0 109.752 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.28 -47.01 99.59 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.69 -33.81 85.2 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 114.213 -3.392 . . . . 25.0 114.571 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -72.7 -32.67 65.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.969 -0.457 . . . . 25.0 110.452 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.65 -43.14 99.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.18 -39.35 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.468 . . . . 25.0 110.183 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.4 m -60.9 -40.1 91.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.768 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtt -58.8 -35.01 72.14 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.2 mmt . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.103 0.477 . . . . 25.0 109.758 -178.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 . . . . . 0 C--O 1.224 -0.25 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -36.21 74.95 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.649 0.659 . . . . 25.0 109.592 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.9 mt -84.34 -39.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.527 0.68 . . . . 25.0 109.309 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -71.72 -12.5 61.35 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 114.041 1.126 . . . . 25.0 114.041 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.57 -40.9 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.92 67.12 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -95.93 -32.04 12.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 25.0 110.256 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.73 -35.81 79.14 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.115 0.566 . . . . 25.0 111.327 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.71 -18.52 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 120.772 0.32 . . . . 25.0 111.447 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CD1' HG22 ' A' ' 108' ' ' VAL . 81.7 m-85 -106.25 5.98 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.979 -0.451 . . . . 25.0 111.015 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -82.43 88.03 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.03 -44.6 4.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 116.747 2.129 . . . . 25.0 116.747 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.05 8.31 10.4 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.48 56.64 Favored Glycine 0 N--CA 1.463 0.463 0 C-N-CA 120.744 -0.741 . . . . 25.0 112.196 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -77.25 -28.83 53.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.23 -9.09 76.49 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 122.225 0.903 . . . . 25.0 111.142 -173.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -138.9 143.67 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 pt -137.49 166.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 45.0 t -67.39 151.8 46.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.009 -0.676 . . . . 25.0 110.063 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.423 0.63 . . . . 25.0 110.618 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.05 73.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.383 0.611 . . . . 25.0 110.101 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.54 -44.07 83.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.17 -39.24 92.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.11 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -65.5 -29.37 70.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.789 -0.569 . . . . 25.0 110.428 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -69.3 -37.98 78.07 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.768 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 92' ' ' PHE . 28.4 t -63.99 -38.96 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.2 tpp -56.95 -46.71 81.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 p -72.65 -18.6 61.55 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -73.66 -29.02 62.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.73 -32.44 21.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 25.0 111.634 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.83 -172.44 36.38 Favored Glycine 0 C--O 1.224 -0.493 0 C-N-CA 120.629 -0.796 . . . . 25.0 114.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -109.46 159.93 16.63 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -123.91 165.59 17.12 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.82 -49.05 76.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.1 t -123.65 149.3 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.387 -0.227 . . . . 25.0 110.387 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.06 -22.07 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -56.29 -36.8 69.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.993 0.425 . . . . 25.0 111.3 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.605 0.716 . . . . 25.0 110.492 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -73.39 -38.74 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -46.4 86.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.79 -36.87 76.07 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.927 -0.709 . . . . 25.0 111.264 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.1 ttp -67.38 -38.79 85.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.633 0.254 . . . . 25.0 111.029 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.43 -42.5 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.04 -37.51 77.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.18 -30.18 69.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.99 0.424 . . . . 25.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.99 1.12 56.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.82 1.415 . . . . 25.0 114.82 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.93 116.71 9.71 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 85.9 mt -123.27 -52.32 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.67 139.18 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.344 0.593 . . . . 25.0 111.697 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.06 -17.28 63.23 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.727 -0.669 . . . . 25.0 113.678 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.31 8.08 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.082 0.468 . . . . 25.0 110.514 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.67 39.06 14.92 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.922 -0.656 . . . . 25.0 113.25 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 38.5 mt-30 -117.94 151.39 37.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.357 0.598 . . . . 25.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.53 146.91 33.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.96 100.05 10.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -63.87 -21.13 66.31 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.929 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.68 -44.52 90.24 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.061 0.393 . . . . 25.0 112.061 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -87.83 -23.64 23.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.73 -43.23 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.89 -38.67 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.08 -34.68 76.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.997 -0.439 . . . . 25.0 110.725 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.5 tpp -62.49 -33.66 75.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.253 0.549 . . . . 25.0 110.983 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.6 mtt -71.91 -9.68 58.69 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.786 -0.571 . . . . 25.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.54 -30.17 59.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.066 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.66 -34.69 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.37 87.39 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.15 -0.344 . . . . 25.0 110.367 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.21 -42.46 98.64 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -65.0 -40.36 94.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -62.3 -47.22 85.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.7 -35.48 78.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.109 -0.636 . . . . 25.0 110.59 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.53 77.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.043 0.449 . . . . 25.0 110.368 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -70.14 -46.66 64.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.392 0.615 . . . . 25.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -68.7 -14.9 63.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.06 -32.12 71.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -104.25 -26.24 12.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.777 -0.647 . . . . 25.0 112.322 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -78.21 89.67 4.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -98.05 -2.7 39.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.488 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.27 -27.9 12.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.11 0.481 . . . . 25.0 110.302 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.27 17.25 34.9 Favored Glycine 0 C--O 1.23 -0.129 0 CA-C-N 115.999 -0.546 . . . . 25.0 114.399 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -77.16 -13.86 59.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 16.57 68.4 Favored Glycine 0 C--O 1.239 0.431 0 C-N-CA 121.265 -0.493 . . . . 25.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -132.16 163.62 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.19 0.519 . . . . 25.0 111.779 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -135.65 170.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 103.669 -2.715 . . . . 25.0 103.669 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -87.4 161.9 17.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 p -60.05 -29.27 68.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.783 0.802 . . . . 25.0 110.662 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -83.12 -19.77 36.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.476 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.34 -9.5 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.55 -42.09 77.94 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.91 -38.88 96.06 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.705 -0.679 . . . . 25.0 112.056 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -40.53 80.29 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.179 -0.6 . . . . 25.0 111.707 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.83 -45.91 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.0 ttm -60.91 -39.98 91.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.037 0.446 . . . . 25.0 111.076 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.39 -22.8 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -74.56 -23.55 58.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.86 6.21 36.61 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.593 0.711 . . . . 25.0 109.097 175.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -4.98 83.44 Favored Glycine 0 N--CA 1.454 -0.117 0 N-CA-C 116.198 1.239 . . . . 25.0 116.198 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.49 123.09 36.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.569 1.185 . . . . 25.0 108.717 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.99 103.64 50.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.14 162.95 31.13 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 116.982 -1.545 . . . . 25.0 111.142 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 145.91 51.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 173.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.58 -22.06 66.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -50.88 62.4 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.18 -40.0 94.57 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.47 -42.91 99.5 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.061 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.07 -43.23 83.15 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.959 -0.296 . . . . 25.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -59.33 -42.57 91.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.947 0.403 . . . . 25.0 110.149 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtt -65.91 -31.96 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.173 -0.33 . . . . 25.0 111.688 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.86 -40.65 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.13 -40.9 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.279 0.49 . . . . 25.0 111.533 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -57.37 -35.8 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.46 . . . . 25.0 112.243 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.1 t -95.56 -32.25 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.156 0.503 . . . . 25.0 112.012 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.92 -13.84 62.67 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.463 -0.773 . . . . 25.0 108.969 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.41 78.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.475 0.31 . . . . 25.0 110.828 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.89 -25.25 61.0 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.712 1.244 . . . . 25.0 108.575 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.21 5.99 88.42 Favored Glycine 0 C--N 1.322 -0.244 0 CA-C-N 114.092 -1.413 . . . . 25.0 115.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.29 -28.82 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.01 0.905 . . . . 25.0 109.859 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.04 25.61 69.6 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.41 0.924 . . . . 25.0 115.41 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -127.92 152.25 48.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.37 0.585 . . . . 25.0 110.593 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.2 mt -131.62 125.46 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 163.77 21.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.151 0.5 . . . . 25.0 110.36 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.68 -44.89 99.55 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.34 -33.49 47.73 Favored 'Trans proline' 0 C--N 1.356 0.924 1 C-N-CA 112.104 -4.798 . . . . 25.0 114.264 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.61 -25.53 59.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.945 -0.472 . . . . 25.0 111.569 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -55.2 -40.74 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.04 -37.98 45.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.015 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -59.55 -42.33 92.14 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 25.0 111.075 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -60.81 -22.74 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 mmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 121.808 -0.558 . . . . 25.0 111.295 -179.328 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.08 -54.8 41.65 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.55 -43.33 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.955 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.56 -33.05 70.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.255 -0.978 . . . . 25.0 112.606 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.89 -41.59 78.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -36.26 69.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.03 0.443 . . . . 25.0 110.74 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -79.27 -21.21 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -69.51 -14.92 63.12 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.36 -18.89 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 119.685 -0.806 . . . . 25.0 109.612 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -98.08 -32.73 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.53 67.6 7.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.832 0.825 . . . . 25.0 109.345 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.14 70.26 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.218 -0.901 . . . . 25.0 113.426 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -95.09 -7.94 38.02 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.653 0.612 . . . . 25.0 112.653 -175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.65 26.52 67.24 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.893 -0.67 . . . . 25.0 113.858 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.04 -9.49 39.54 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.33 9.78 85.49 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.8 -0.714 . . . . 25.0 112.716 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -121.37 138.77 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.902 0.481 . . . . 25.0 110.434 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.2 pt -137.66 164.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.046 -1.835 . . . . 25.0 106.046 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -70.37 150.3 46.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -31.96 69.46 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.9 73.2 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.011 0.434 . . . . 25.0 111.373 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.06 -33.58 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.4 -42.9 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.12 -39.71 83.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -61.38 -45.66 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 119.735 -0.174 . . . . 25.0 110.962 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.84 -46.34 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.49 -44.61 95.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 t -76.1 -8.78 57.78 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -91.07 -25.77 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.91 0.386 . . . . 25.0 110.025 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.22 -15.67 28.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.41 0.522 . . . . 25.0 112.41 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.11 162.35 14.19 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 111.835 -0.506 . . . . 25.0 111.835 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -120.82 145.84 47.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 tttt 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.53 145.04 56.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -93.95 157.93 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.45 -38.47 89.89 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.942 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.13 -35.2 79.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 25.0 111.19 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.75 -37.93 85.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.4 -36.38 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.34 -45.32 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.404 0.621 . . . . 25.0 110.586 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.26 -38.23 76.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.302 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 tpt -68.99 -42.59 76.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.264 0.554 . . . . 25.0 111.078 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -73.53 -40.29 55.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -175.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -60.54 -21.07 62.12 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.9 -23.52 66.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.777 0.322 . . . . 25.0 111.814 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -127.63 16.97 6.96 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.32 135.93 46.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.0 mt -90.6 -24.12 5.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.843 -0.617 . . . . 25.0 109.795 -176.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.32 20.78 4.88 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.91 0.884 . . . . 25.0 113.229 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -59.97 1.37 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 120.506 -0.854 . . . . 25.0 112.766 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -122.46 11.72 9.99 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.598 0.713 . . . . 25.0 109.656 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.38 19.67 77.74 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.02 154.61 31.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.024 0.53 . . . . 25.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.17 155.96 38.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.65 99.79 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -72.08 -24.92 61.58 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.704 1.002 . . . . 25.0 113.704 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -35.24 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.32 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.79 -26.78 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.999 0.428 . . . . 25.0 109.943 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.23 -38.14 84.74 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.08 -43.76 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -62.83 -39.36 94.07 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.966 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.02 -43.1 99.56 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.608 0.363 . . . . 25.0 111.127 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.8 mtm -78.07 -9.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.513 -0.312 . . . . 25.0 111.619 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.475 0.808 0 C-N-CA 124.856 1.263 . . . . 25.0 109.906 -176.832 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 121.673 0.749 . . . . 25.0 109.437 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -74.3 -31.16 62.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 25.0 109.749 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.77 -34.62 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.42 92.96 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.016 -0.427 . . . . 25.0 109.867 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -64.87 -37.82 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.929 -0.482 . . . . 25.0 109.949 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -65.56 -31.87 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.028 -0.42 . . . . 25.0 110.365 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.96 -40.92 83.11 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.118 -0.364 . . . . 25.0 110.049 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -66.77 -36.13 81.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.97 86.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.877 -0.515 . . . . 25.0 110.149 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -69.52 -45.07 69.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.389 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -67.54 -23.32 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.59 -23.89 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.192 -0.317 . . . . 25.0 111.143 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -106.46 -16.24 14.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.885 0.328 . . . . 25.0 111.885 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -82.15 58.95 4.21 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.344 -1.298 . . . . 25.0 112.022 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -77.85 -27.94 49.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.294 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.17 18.02 41.08 Favored Glycine 0 CA--C 1.517 0.169 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 25.0 110.943 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.7 18.92 62.71 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 111.09 -0.804 . . . . 25.0 111.09 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -136.17 164.64 27.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.072 0.463 . . . . 25.0 111.627 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -134.38 165.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 103.897 -2.631 . . . . 25.0 103.897 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -85.08 162.6 19.23 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.329 -0.857 . . . . 25.0 108.731 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.4 -22.53 61.54 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.524 0.565 . . . . 25.0 112.524 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -87.86 -29.8 20.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.092 -0.38 . . . . 25.0 111.092 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.68 -13.11 60.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.056 0.455 . . . . 25.0 111.098 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.54 -41.6 66.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 25.0 110.069 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.27 -40.08 97.61 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.697 -0.763 . . . . 25.0 112.18 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -40.11 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.516 -0.402 . . . . 25.0 111.383 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mtp -64.22 -38.39 90.88 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.459 -0.776 . . . . 25.0 111.09 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -72.7 -12.53 61.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 t -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.12 4.04 43.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.046 0.451 . . . . 25.0 109.949 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.55 88.66 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.46 -0.4 . . . . 25.0 113.684 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -85.0 127.62 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.6 0.7 . . . . 25.0 110.246 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -88.04 108.41 21.24 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.73 152.73 47.93 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 114.505 -3.197 . . . . 25.0 110.233 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.99 139.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.919 -1.882 . . . . 25.0 105.919 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.53 -27.35 66.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.772 -0.58 . . . . 25.0 111.692 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.06 92.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.65 -42.56 91.28 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.833 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -41.78 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.245 -0.182 . . . . 25.0 110.677 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.25 -51.87 66.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -71.49 -32.03 67.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.7 mtt -62.34 -36.73 83.1 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -43.21 93.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.23 -38.92 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 122.181 -0.325 . . . . 25.0 111.646 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.74 -34.32 76.97 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.029 -0.419 . . . . 25.0 111.351 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.7 t -84.78 -38.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.364 0.602 . . . . 25.0 111.315 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -66.57 -7.87 23.1 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.936 -0.477 . . . . 25.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.46 80.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.294 0.238 . . . . 25.0 110.452 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -87.22 -27.03 23.22 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 8.2 84.6 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 114.855 -1.066 . . . . 25.0 114.58 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -68.56 -28.86 67.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 117.578 0.689 . . . . 25.0 111.899 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 2.41 68.81 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 p -126.05 163.86 22.13 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.7 mt -127.97 113.49 31.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 105.234 -2.135 . . . . 25.0 105.234 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.71 172.22 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.04 -45.76 91.52 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.46 -24.18 42.9 Favored 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 112.733 -4.378 . . . . 25.0 113.95 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.21 -36.94 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.24 -44.47 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.58 -37.02 85.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.215 -0.303 . . . . 25.0 110.862 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -63.61 -40.28 96.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.5 tpp -66.0 -36.31 82.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.206 -0.309 . . . . 25.0 111.227 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt . . . . . 0 N--CA 1.467 0.404 0 O-C-N 121.667 -0.646 . . . . 25.0 109.358 176.746 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 N--CA 1.467 0.395 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -59.08 -39.46 82.23 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.743 0.702 . . . . 25.0 111.77 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.38 -40.42 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.758 0.789 . . . . 25.0 109.555 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -73.16 -31.45 64.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.05 -36.65 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.79 64.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.354 0.501 . . . . 25.0 112.354 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -95.85 -27.63 15.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.24 0.459 . . . . 25.0 112.24 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -61.57 -31.97 72.04 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.69 -9.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -110.16 3.75 20.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.438 0.295 . . . . 25.0 111.506 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.6 121.21 11.03 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.997 0.427 . . . . 25.0 111.7 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -37.63 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 115.796 1.776 . . . . 25.0 115.796 -173.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.95 4.71 5.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.482 0.658 . . . . 25.0 110.8 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.3 24.83 74.53 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.567 -1.813 . . . . 25.0 108.567 -174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -115.47 12.79 16.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -173.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.39 13.29 63.76 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.65 140.17 53.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 pt -139.45 161.53 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 t -71.7 153.32 42.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.533 -0.73 . . . . 25.0 109.838 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.74 68.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.357 0.599 . . . . 25.0 109.711 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.01 78.23 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.318 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.79 -34.75 72.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.31 -49.87 76.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -65.68 -31.72 72.88 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.682 -0.407 . . . . 25.0 110.854 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -61.73 -45.32 94.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.163 -0.215 . . . . 25.0 110.575 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.04 -45.5 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.45 -42.22 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 t -76.81 -15.26 59.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.629 -0.669 . . . . 25.0 111.882 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.52 -25.01 59.06 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.268 -0.27 . . . . 25.0 110.953 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.84 51.99 1.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.075 0.94 . . . . 25.0 110.378 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.31 174.52 35.5 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.482 -1.047 . . . . 25.0 110.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -150.94 168.32 24.87 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 63.94 -27.08 0.08 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 118.046 2.61 . . . . 25.0 118.046 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.3 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 25.0 111.499 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -112.75 160.96 17.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.52 -48.52 80.57 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -60.3 -34.14 73.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.318 0.58 . . . . 25.0 112.276 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.66 -35.38 79.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.822 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.42 -36.01 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.71 77.63 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 4.7 tp10 -55.9 -38.33 70.07 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.556 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -29.2 37.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.077 0.465 . . . . 25.0 111.045 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.1 -38.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 63.8 mtt180 -61.21 -16.88 49.74 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -97.89 -31.39 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.93 2.88 35.75 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 117.603 2.446 . . . . 25.0 117.603 -173.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.79 161.89 13.37 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 pt -125.27 124.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 25.0 108.976 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -61.53 -24.06 66.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.29 73.34 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.218 -0.515 . . . . 25.0 113.704 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.45 -25.4 5.6 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.44 21.6 78.6 Favored Glycine 0 C--O 1.246 0.848 0 N-CA-C 109.478 -1.449 . . . . 25.0 109.478 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -117.99 158.18 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.552 -0.824 . . . . 25.0 112.092 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.8 m -116.81 156.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -85.32 138.59 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 103.257 -2.868 . . . . 25.0 103.257 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -99.89 -5.69 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.321 -0.952 . . . . 25.0 112.641 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.64 -46.53 78.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.395 -0.595 . . . . 25.0 109.395 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -69.19 -30.77 69.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.16 0.505 . . . . 25.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.38 -38.09 81.02 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.774 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.83 -42.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -60.57 -42.74 97.27 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.991 -0.284 . . . . 25.0 110.493 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 36.8 tpp -60.09 -31.19 69.8 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.189 -0.319 . . . . 25.0 111.763 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.33 -6.3 50.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.245 0.833 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -177.699 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.734 0.302 . . . . 25.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -69.39 -18.5 63.78 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.657 -0.417 . . . . 25.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -67.11 -34.14 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.93 80.83 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.51 -37.87 88.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.318 0.58 . . . . 25.0 110.2 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.9 -34.02 77.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -68.89 -42.12 77.36 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.38 -37.96 88.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.336 -0.546 . . . . 25.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.126 0.489 . . . . 25.0 110.534 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.02 -46.21 58.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.179 0.514 . . . . 25.0 109.795 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -67.6 -16.84 64.38 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.95 -29.19 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.827 0.822 . . . . 25.0 108.836 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -106.72 -4.19 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -101.78 104.2 14.97 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -97.88 -4.39 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.902 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -108.3 -28.0 9.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.88 9.7 55.92 Favored Glycine 0 C--N 1.322 -0.239 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.685 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -74.27 -12.58 60.59 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 117.316 0.558 . . . . 25.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 23.73 58.06 Favored Glycine 0 C--O 1.235 0.216 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.215 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.6 p -131.64 160.46 35.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 25.0 111.528 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.96 169.83 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 175.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 p -87.1 165.35 15.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 p -60.2 -26.83 66.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.531 0.682 . . . . 25.0 110.991 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 4.1 mptt -73.92 -37.19 64.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.05 -18.04 62.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.46 -43.04 75.12 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.38 -36.96 93.85 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.459 -0.877 . . . . 25.0 111.547 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -35.0 76.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.06 -46.15 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.9 mmt -60.48 -44.65 95.69 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -59.28 -35.37 73.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.781 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -69.17 -25.15 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.3 -0.25 . . . . 25.0 111.326 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.49 0.48 56.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.128 0.489 . . . . 25.0 110.129 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.57 0.28 88.06 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.893 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.12 132.09 34.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.966 0.413 . . . . 25.0 110.518 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.23 92.27 18.38 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.319 -0.4 . . . . 25.0 110.267 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.56 153.58 73.33 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 115.373 -2.618 . . . . 25.0 110.754 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.91 139.58 50.76 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 174.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.36 -27.51 68.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.9 87.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.031 -0.418 . . . . 25.0 110.405 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.93 -35.68 72.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.42 -35.54 80.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.57 -44.72 93.28 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.416 -0.326 . . . . 25.0 110.127 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.86 -41.9 92.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.209 0.458 . . . . 25.0 110.502 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.5 mtt -61.27 -34.19 74.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 111.403 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.06 -45.26 22.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 mm -60.85 -39.95 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.51 -27.11 68.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.511 -0.876 . . . . 25.0 111.71 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.08 -33.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.606 0.717 . . . . 25.0 110.136 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.01 -26.2 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.81 70.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.778 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.57 -24.06 60.04 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.597 1.189 . . . . 25.0 108.95 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.95 8.93 87.25 Favored Glycine 0 N--CA 1.458 0.156 0 CA-C-N 113.359 -1.746 . . . . 25.0 115.814 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -88.27 -28.94 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.48 25.24 60.43 Favored Glycine 0 C--O 1.243 0.667 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -128.25 154.11 46.23 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.291 0.637 . . . . 25.0 109.629 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -130.95 126.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 160.76 20.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.982 0.42 . . . . 25.0 110.2 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.77 -46.91 99.68 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.78 -32.88 55.6 Favored 'Trans proline' 0 C--N 1.357 0.978 1 C-N-CA 112.709 -4.394 . . . . 25.0 114.714 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -22.98 51.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.535 -0.728 . . . . 25.0 111.279 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -39.68 94.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 172.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -41.82 75.35 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.188 -0.32 . . . . 25.0 110.207 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -58.72 -38.19 77.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.948 0.404 . . . . 25.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 tpp -59.83 -42.57 93.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.014 0.435 . . . . 25.0 110.625 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.1 mtm . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.811 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 116.282 1.956 . . . . 25.0 116.282 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.08 -46.19 88.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.796 0.725 . . . . 25.0 111.465 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.01 -41.66 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -65.8 -36.27 83.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.001 -0.545 . . . . 25.0 112.061 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.54 -32.88 74.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.216 -0.302 . . . . 25.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.1 -35.92 70.01 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.609 0.242 . . . . 25.0 110.832 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -86.52 -37.84 17.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.067 0.46 . . . . 25.0 110.597 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -58.55 -33.11 69.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.69 -17.93 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 O-C-N 121.78 -0.575 . . . . 25.0 111.517 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.38 -1.45 35.99 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.95 -0.469 . . . . 25.0 111.473 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.96 74.91 7.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.494 1.14 . . . . 25.0 109.131 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -69.89 -23.74 63.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.662 -175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -93.25 -11.75 31.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.918 0.389 . . . . 25.0 111.019 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.26 27.61 72.6 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 116.267 -0.424 . . . . 25.0 112.136 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -123.21 8.28 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 -174.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.55 5.85 84.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.97 -0.633 . . . . 25.0 114.405 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -115.51 140.19 49.38 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.67 0.735 . . . . 25.0 111.333 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.88 160.87 36.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 104.861 -2.274 . . . . 25.0 104.861 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 43.9 t -73.7 152.99 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.11 -25.27 65.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.949 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.5 96.34 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -74.36 -34.24 63.31 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.909 -0.774 . . . . 25.0 108.909 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -66.0 -31.24 72.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.701 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -66.76 -36.82 83.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.191 -0.318 . . . . 25.0 110.809 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.49 -45.87 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.4 -38.91 88.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.948 0.88 . . . . 25.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -17.26 62.43 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.165 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -86.91 -40.72 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.34 -31.51 72.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.956 0.408 . . . . 25.0 111.086 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.18 21.95 21.26 Favored Glycine 0 C--O 1.23 -0.148 0 C-N-CA 120.798 -0.715 . . . . 25.0 114.862 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.67 81.85 1.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -140.72 41.87 1.85 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -171.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.52 -55.28 16.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.33 157.25 28.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 169.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.32 -23.11 66.31 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.94 0.876 . . . . 25.0 109.004 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.91 -22.74 65.06 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.929 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.14 -38.12 89.93 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.639 0.733 . . . . 25.0 109.607 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.57 -42.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 122.054 0.93 . . . . 25.0 109.723 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -44.02 61.5 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -173.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.42 -39.39 90.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.094 -0.379 . . . . 25.0 111.356 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.8 mmm -62.0 -27.14 68.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 -37.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.28 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.91 -23.09 66.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -72.67 -24.91 61.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.507 0.67 . . . . 25.0 111.44 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.59 168.94 15.91 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.605 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.2 163.66 27.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.835 -0.62 . . . . 25.0 110.636 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 pt -77.23 164.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 114.989 1.477 . . . . 25.0 114.989 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.49 124.73 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.12 -0.946 . . . . 25.0 109.977 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.32 -59.94 1.51 Allowed Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -107.0 12.06 29.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.677 0.751 . . . . 25.0 109.495 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.64 -2.34 82.45 Favored Glycine 0 C--O 1.236 0.266 0 CA-C-N 115.869 -0.605 . . . . 25.0 112.5 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 83.5 mt-30 -117.68 149.8 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.019 0.527 . . . . 25.0 111.414 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -133.37 155.48 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -92.26 100.96 13.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.153 0.978 . . . . 25.0 111.625 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -62.03 -23.91 66.74 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.13 -35.57 81.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 25.0 111.652 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -88.97 -26.75 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.656 -0.653 . . . . 25.0 109.46 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -66.89 -42.72 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.714 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.68 -31.55 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.23 -39.86 68.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.425 -0.584 . . . . 25.0 109.425 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.8 tpp -65.15 -34.54 78.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.819 0.343 . . . . 25.0 111.111 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.79 -28.23 68.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 -179.415 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.225 -0.189 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.58 -32.44 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.679 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.41 -38.26 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.63 96.15 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -61.73 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.309 0.576 . . . . 25.0 109.933 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.1 -36.39 83.86 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.092 -0.38 . . . . 25.0 110.025 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -40.94 95.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.439 -0.163 . . . . 25.0 111.258 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.3 -40.78 86.09 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.63 -0.828 . . . . 25.0 110.196 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -35.39 80.92 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.226 0.536 . . . . 25.0 110.979 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.58 -46.01 70.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.223 0.535 . . . . 25.0 110.055 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -68.52 -15.08 63.42 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -22.34 66.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.8 m-85 -113.93 -22.97 9.84 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -77.37 87.99 3.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.353 1.073 . . . . 25.0 108.773 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -69.61 -24.9 63.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.492 -1.231 . . . . 25.0 114.181 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.01 -27.77 12.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -172.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.63 40.17 Favored Glycine 0 C--N 1.321 -0.257 0 C-N-CA 121.507 -0.377 . . . . 25.0 113.607 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.1 -11.63 59.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.023 0.439 . . . . 25.0 111.043 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.85 44.51 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 121.349 -0.453 . . . . 25.0 112.841 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 p -132.2 162.5 30.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.207 0.527 . . . . 25.0 112.333 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.07 162.45 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 103.089 -2.93 . . . . 25.0 103.089 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.0 p -82.19 161.1 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.754 1.161 . . . . 25.0 108.725 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.4 p -59.5 -36.73 76.62 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 122.107 0.956 . . . . 25.0 108.838 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.66 -36.05 75.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.817 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.17 -12.02 58.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.23 -46.1 62.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.195 0.521 . . . . 25.0 111.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.65 -34.29 89.51 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.673 -0.775 . . . . 25.0 112.425 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -41.01 61.67 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.284 -0.539 . . . . 25.0 111.018 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 19' ' ' PHE . 73.9 t -65.81 -48.46 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 tpt -59.88 -42.24 93.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 25.0 110.646 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.0 -24.07 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.967 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -68.22 -19.03 64.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.003 -0.436 . . . . 25.0 111.835 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.24 8.04 29.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.126 0.489 . . . . 25.0 110.461 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.05 4.78 88.2 Favored Glycine 0 C--O 1.223 -0.552 0 C-N-CA 121.07 -0.586 . . . . 25.0 114.379 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -130.5 132.08 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -103.97 143.13 26.04 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.92 168.82 20.29 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 117.005 -1.53 . . . . 25.0 108.612 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -75.34 155.82 36.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 103.242 -2.873 . . . . 25.0 103.242 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -62.27 -27.26 68.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.676 -0.64 . . . . 25.0 112.106 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.86 92.47 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.473 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.71 -43.22 97.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.288 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.74 -47.46 72.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.304 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.21 -43.59 98.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 25.0 111.367 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtt -66.12 -30.34 70.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.61 -49.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mm -60.94 -38.72 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.57 -17.39 64.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.88 -41.68 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 25.0 111.696 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -13.81 62.52 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.67 -0.644 . . . . 25.0 111.743 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -28.32 69.83 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 110.938 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.88 -24.07 59.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.236 1.017 . . . . 25.0 109.927 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 6.15 75.29 Favored Glycine 0 C--O 1.23 -0.143 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.124 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -65.78 -28.6 69.13 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.186 0.517 . . . . 25.0 111.789 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.36 -10.09 6.74 Favored Glycine 0 C--O 1.239 0.448 0 N-CA-C 115.991 1.156 . . . . 25.0 115.991 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -128.19 162.16 27.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 117.221 0.51 . . . . 25.0 110.759 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.6 mt -127.09 127.94 70.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.66 170.74 14.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.286 1.041 . . . . 25.0 110.192 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.44 -45.59 77.5 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -65.57 -24.23 56.23 Favored 'Trans proline' 0 C--N 1.356 0.945 1 C-N-CA 112.767 -4.355 . . . . 25.0 114.129 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -71.57 -41.76 68.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.814 -0.809 . . . . 25.0 108.814 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -56.95 -44.61 82.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.51 -35.97 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.091 -0.381 . . . . 25.0 111.193 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.5 m -63.29 -39.61 95.06 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.83 -42.26 97.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.0 mmt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.899 0.381 . . . . 25.0 110.695 179.43 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.65 -44.65 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.513 0.673 . . . . 25.0 109.39 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 84.0 mt -68.21 -42.05 84.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-O 121.697 0.761 . . . . 25.0 109.467 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.51 -41.7 98.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 110.526 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.41 -47.92 66.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.31 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.469 0.914 . . . . 25.0 113.469 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -82.02 -28.46 32.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -65.61 -18.37 65.27 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.18 -28.42 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 120.953 0.406 . . . . 25.0 110.502 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -109.29 14.4 23.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -65.66 111.23 3.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.571 0.7 . . . . 25.0 110.13 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -66.83 -48.55 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.74 5.31 13.1 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.04 29.54 56.83 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 108.198 -1.961 . . . . 25.0 108.198 -175.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -128.69 13.33 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.556 0.743 . . . . 25.0 112.877 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.75 4.56 90.3 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.409 0.924 . . . . 25.0 115.409 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -96.71 136.43 37.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.267 1.033 . . . . 25.0 111.171 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -132.81 163.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 t -77.1 151.89 35.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.91 66.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.446 0.641 . . . . 25.0 109.33 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.9 83.5 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.99 0.424 . . . . 25.0 110.052 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -77.92 -30.78 50.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.048 -0.523 . . . . 25.0 109.773 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.65 -46.04 88.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -63.41 -39.66 95.09 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.458 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.81 -43.75 98.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.779 -0.191 . . . . 25.0 111.205 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.61 -42.27 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.0 mtt -61.37 -43.09 99.47 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.559 -0.456 . . . . 25.0 111.914 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 p -70.53 -26.46 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.929 -0.482 . . . . 25.0 111.461 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.85 -23.11 61.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.748 0.308 . . . . 25.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -90.57 -2.86 57.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.709 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 127.14 123.8 2.66 Favored Glycine 0 CA--C 1.516 0.117 0 CA-C-O 121.503 0.502 . . . . 25.0 112.747 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.51 154.17 42.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.396 0.617 . . . . 25.0 110.572 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -94.63 175.78 6.54 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.32 -47.87 82.35 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.113 0.782 . . . . 25.0 113.113 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.3 t -119.01 152.73 35.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.31 -30.18 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.353 0.596 . . . . 25.0 109.74 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -60.21 -35.03 74.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.463 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.19 -23.37 67.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.386 0.612 . . . . 25.0 110.272 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.25 -48.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -41.48 86.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.453 1.649 . . . . 25.0 115.453 -173.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -68.22 -30.47 69.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.409 -0.516 . . . . 25.0 110.324 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 46.8 ttp -67.4 -31.28 71.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.546 0.689 . . . . 25.0 110.365 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.5 mt -78.29 -32.49 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -66.39 -10.17 40.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.63 -30.61 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 25.0 110.092 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.4 158.9 15.82 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.084 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 65.66 1.06 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 122.016 0.912 . . . . 25.0 112.076 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.1 pt -65.87 -18.03 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.921 1.082 . . . . 25.0 113.921 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.54 -6.81 59.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 25.0 111.002 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.08 -54.59 3.14 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.712 -0.756 . . . . 25.0 114.407 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -120.12 -21.47 7.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 -8.82 11.75 Favored Glycine 0 C--O 1.24 0.508 0 O-C-N 121.832 -0.542 . . . . 25.0 113.45 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -118.01 152.12 36.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.84 149.94 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -87.53 112.2 21.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -61.28 -30.44 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -171.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.2 -42.89 96.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.458 0.647 . . . . 25.0 110.521 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -72.88 -34.93 67.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.446 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -68.45 -33.53 74.35 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.791 -0.764 . . . . 25.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.49 -42.53 95.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.91 -38.04 87.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 25.0 110.585 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.2 ttm -62.61 -41.68 99.14 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.951 0.5 . . . . 25.0 111.391 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mtm -71.81 -17.43 62.16 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.329 -0.232 . . . . 25.0 111.049 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 106.55 -1.648 . . . . 25.0 106.55 -179.698 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -63.73 -35.47 80.68 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.906 -0.317 . . . . 25.0 110.295 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.5 -37.72 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.4 81.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -63.09 -39.63 95.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.233 -0.292 . . . . 25.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -64.79 -39.1 93.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -66.33 -45.82 78.97 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.812 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -69.03 -31.7 70.69 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.575 -0.85 . . . . 25.0 110.27 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.26 86.47 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.62 -42.93 73.7 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 t -57.97 -32.35 67.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.121 0.968 . . . . 25.0 112.707 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.97 -24.85 64.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.3 m-85 -113.52 -2.98 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -85.87 80.23 8.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -24.28 36.63 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.417 -175.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.63 -26.23 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.48 0.919 . . . . 25.0 113.48 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.8 18.4 47.88 Favored Glycine 0 C--N 1.322 -0.241 0 N-CA-C 111.336 -0.706 . . . . 25.0 111.336 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -86.75 -17.73 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.949 0.404 . . . . 25.0 110.429 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.55 14.78 72.7 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-O 119.094 -0.837 . . . . 25.0 114.205 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.15 164.51 21.46 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.132 0.966 . . . . 25.0 112.181 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -133.17 159.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 104.855 -2.276 . . . . 25.0 104.855 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -85.46 160.48 19.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 p -62.52 -24.91 67.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.045 0.926 . . . . 25.0 110.364 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -70.74 -30.96 67.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.527 -0.761 . . . . 25.0 109.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.35 -13.9 45.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 25.0 110.445 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.12 -37.85 64.79 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 122.028 -0.42 . . . . 25.0 111.179 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.72 98.02 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.343 -0.932 . . . . 25.0 111.739 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.7 80.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.78 -0.247 . . . . 25.0 111.412 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 19' ' ' PHE . 64.5 t -61.95 -46.36 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 25.0 110.587 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.613 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -26.37 67.6 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -72.44 -11.4 60.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -5.71 43.16 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.518 0.675 . . . . 25.0 109.278 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.53 -4.64 43.58 Favored Glycine 0 N--CA 1.454 -0.14 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.185 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -140.49 137.07 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.33 0.565 . . . . 25.0 109.801 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.92 151.73 47.59 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.76 176.93 9.49 Favored 'Trans proline' 0 C--O 1.239 0.549 0 N-CA-C 108.636 -1.332 . . . . 25.0 108.636 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.32 144.75 53.43 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -65.37 -33.7 76.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.982 -0.448 . . . . 25.0 111.672 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -44.74 73.12 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.5 -37.06 84.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.543 0.687 . . . . 25.0 109.77 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.64 -43.45 98.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -42.54 92.27 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.62 -0.432 . . . . 25.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -58.58 -44.51 89.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.0 0.429 . . . . 25.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.26 -34.82 79.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.821 0.343 . . . . 25.0 111.366 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -68.18 -41.98 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.15 -43.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 119.049 -0.501 . . . . 25.0 112.059 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.36 -43.08 88.25 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.098 0.863 . . . . 25.0 112.336 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.301 0.572 . . . . 25.0 112.135 -175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.49 -25.59 60.52 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.072 -1.018 . . . . 25.0 108.81 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.85 -33.01 68.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.07 -26.06 68.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 122.669 1.223 . . . . 25.0 108.518 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.03 83.62 Favored Glycine 0 CA--C 1.508 -0.365 0 CA-C-N 113.525 -1.67 . . . . 25.0 115.515 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -91.82 -29.07 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.52 37.07 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -131.73 152.39 50.95 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -129.11 121.52 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 160.24 23.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.02 -45.6 99.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.79 -30.97 58.68 Favored 'Trans proline' 0 C--N 1.355 0.911 1 C-N-CA 112.871 -4.286 . . . . 25.0 114.243 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -31.2 63.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.916 -0.49 . . . . 25.0 110.367 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.22 -42.91 99.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.28 -39.95 81.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.638 -0.664 . . . . 25.0 110.201 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -63.95 -42.16 97.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -67.99 -33.92 75.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.448 -0.782 . . . . 25.0 110.247 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 176.092 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.96 -43.59 98.52 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.328 0.967 . . . . 25.0 109.656 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -70.75 -41.83 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.605 0.717 . . . . 25.0 109.395 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.26 -38.34 78.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.37 -33.46 63.45 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.9 22.91 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.71 -31.18 13.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -64.13 -25.95 68.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -67.48 -19.93 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -119.79 6.58 10.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -73.09 132.36 43.21 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -61.79 -49.68 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -128.43 4.91 5.67 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.015 0.436 . . . . 25.0 110.717 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.38 32.56 27.86 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 107.933 -2.067 . . . . 25.0 107.933 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -66.37 -26.01 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.04 74.77 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.947 -0.861 . . . . 25.0 110.947 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -128.42 141.55 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.381 0.672 . . . . 25.0 109.307 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 pt -141.22 168.05 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 t -74.26 150.97 39.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.29 68.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.514 0.673 . . . . 25.0 110.559 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.11 74.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.582 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -35.46 37.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.89 -45.83 93.05 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.021 -0.99 . . . . 25.0 111.27 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.2 -43.63 94.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.825 -0.547 . . . . 25.0 110.851 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.87 -42.9 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.12 -35.59 80.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.5 m -62.53 -35.34 79.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.085 0.469 . . . . 25.0 110.117 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.07 -5.57 39.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 25.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.8 tp -131.17 44.2 2.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.99 -170.2 3.28 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 58.29 47.9 13.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.892 0.877 . . . . 25.0 111.999 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -125.53 129.93 50.72 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.7 mt 52.62 -147.76 0.45 Allowed 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.287 0.992 . . . . 25.0 109.317 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -118.87 160.54 21.75 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.911 -2.255 . . . . 25.0 104.911 171.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.58 -34.03 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.249 0.547 . . . . 25.0 110.031 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.22 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.858 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -76.88 -34.39 57.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 25.0 110.378 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.44 -33.78 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 25.0 110.536 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.7 -44.73 63.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.53 -35.85 70.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -70.84 -27.37 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.081 -0.387 . . . . 25.0 111.023 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.44 -42.41 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -60.72 -31.18 70.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.81 -27.9 58.1 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.005 0.431 . . . . 25.0 112.156 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.29 -31.59 13.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.95 122.15 15.3 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.61 103.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.48 -26.33 61.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.712 -1.131 . . . . 25.0 113.046 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.4 -38.77 95.29 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 115.523 0.969 . . . . 25.0 115.523 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -126.04 -8.02 6.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.451 1.649 . . . . 25.0 115.451 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.41 19.41 74.12 Favored Glycine 0 C--O 1.249 1.061 0 C-N-CA 121.357 -0.449 . . . . 25.0 113.113 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.92 169.11 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.124 0.487 . . . . 25.0 111.067 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.85 159.93 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -96.65 138.83 33.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.766 -2.679 . . . . 25.0 103.766 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -105.9 -8.25 17.77 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.1 -32.92 73.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.693 -0.855 . . . . 25.0 108.693 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -63.35 -39.36 94.34 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.8 -31.1 69.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.608 -0.683 . . . . 25.0 111.425 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.93 -46.86 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -61.31 -49.75 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.939 0.4 . . . . 25.0 110.264 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 ttm -63.58 -21.18 66.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -98.94 -28.3 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.538 0.498 0 CA-C-N 118.035 0.38 . . . . 25.0 111.181 179.52 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 120.522 0.201 . . . . 25.0 110.474 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.93 -36.72 64.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.62 -36.71 78.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.48 93.37 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.75 -42.91 89.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.047 0.385 . . . . 25.0 110.561 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -62.77 -40.13 96.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.0 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -70.11 -41.17 74.35 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.604 -0.438 . . . . 25.0 111.405 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -64.15 -44.24 92.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.65 78.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.088 0.471 . . . . 25.0 110.834 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.02 -48.57 57.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.145 0.498 . . . . 25.0 110.091 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 87.5 p -70.37 -14.74 62.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.28 -25.84 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.95 -26.29 8.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.591 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 59.7 t0 -79.73 82.06 5.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.686 0.755 . . . . 25.0 109.168 174.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -97.47 -1.79 43.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.264 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.47 -28.05 16.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.572 0.701 . . . . 25.0 110.247 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.79 9.37 61.19 Favored Glycine 0 C--O 1.23 -0.156 0 CA-C-N 115.344 -0.843 . . . . 25.0 114.803 173.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -73.11 -15.54 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.07 0.435 . . . . 25.0 111.736 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.74 16.77 65.03 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.7 p -132.75 165.05 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.382 0.611 . . . . 25.0 111.869 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -135.29 164.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 104.168 -2.531 . . . . 25.0 104.168 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.5 p -92.46 161.94 14.43 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 p -58.34 -30.67 66.92 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.557 0.694 . . . . 25.0 110.194 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -59.89 -35.08 74.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.919 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -97.12 -5.91 36.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -53.46 -46.37 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 25.0 110.96 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.28 91.87 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.696 -0.764 . . . . 25.0 112.154 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -33.24 66.78 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.123 -0.634 . . . . 25.0 112.016 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.04 -44.34 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.1 mtp -61.95 -41.06 97.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -57.41 -35.91 70.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.804 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.8 t -68.09 -22.6 64.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.14 6.65 48.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.524 0.678 . . . . 25.0 109.481 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 -4.74 82.72 Favored Glycine 0 CA--C 1.517 0.176 0 CA-C-N 115.883 -0.599 . . . . 25.0 114.305 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -91.15 127.07 36.43 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.03 -0.688 . . . . 25.0 109.731 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.84 114.21 56.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 105.39 -2.078 . . . . 25.0 105.39 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.2 153.15 45.87 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 115.723 -2.384 . . . . 25.0 112.511 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -71.99 165.5 24.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.601 -1.629 . . . . 25.0 106.601 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -33.81 76.75 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.61 70.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.19 -41.9 89.62 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.082 0.468 . . . . 25.0 110.72 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.66 -42.89 99.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.089 -0.505 . . . . 25.0 109.891 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.66 -44.4 74.16 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.05 -0.26 . . . . 25.0 110.611 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.49 -44.52 84.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.3 -32.69 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.896 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.86 -39.31 77.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 119.236 -0.411 . . . . 25.0 110.463 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.09 -37.75 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.745 0.702 . . . . 25.0 111.83 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -58.3 -38.38 76.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.663 . . . . 25.0 111.064 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -88.34 -25.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.229 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.95 -32.33 73.5 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -34.59 78.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.959 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.47 -26.51 51.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.716 1.246 . . . . 25.0 110.391 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 5.15 62.35 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -88.45 -25.94 22.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.644 1.222 . . . . 25.0 111.349 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.77 84.5 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 120.84 -0.695 . . . . 25.0 114.76 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.7 p -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.015 0.407 . . . . 25.0 110.846 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.6 mt -134.26 123.39 43.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.586 -1.265 . . . . 25.0 107.586 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.53 163.35 21.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.943 0.402 . . . . 25.0 110.066 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.17 -46.96 99.63 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -66.33 -31.0 44.43 Favored 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 112.816 -4.323 . . . . 25.0 114.129 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.56 -28.65 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.609 -0.682 . . . . 25.0 110.702 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.31 -45.77 92.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.24 -41.5 89.94 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 122.103 -0.373 . . . . 25.0 111.004 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -67.96 -42.93 80.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.2 ttp -63.48 -40.43 97.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.637 -0.664 . . . . 25.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 C--N 1.327 -0.38 0 O-C-N 121.989 -0.444 . . . . 25.0 110.493 178.371 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 119.999 -0.048 . . . . 25.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.35 -38.99 92.98 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.35 -39.37 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.227 -0.442 . . . . 25.0 109.919 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.34 -35.08 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 111.549 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.2 59.8 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.563 0.22 . . . . 25.0 111.536 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -95.96 -30.94 13.33 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -64.25 -27.32 68.97 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -68.05 -13.82 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.832 -0.543 . . . . 25.0 111.611 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.44 -2.06 29.48 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.18 85.54 7.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.827 0.822 . . . . 25.0 109.02 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.64 71.66 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.49 -7.38 22.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -173.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.86 29.65 64.82 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -112.68 1.79 15.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -175.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.67 1.23 90.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 116.379 1.312 . . . . 25.0 116.379 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -104.39 137.69 41.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.469 1.135 . . . . 25.0 113.664 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.7 pt -136.98 162.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.4 t -79.65 151.74 30.38 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.245 -0.91 . . . . 25.0 109.021 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.63 69.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.72 83.77 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 110.313 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -76.14 -32.4 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 141' ' ' PHE . 58.7 tp -62.38 -47.79 82.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -64.74 -30.08 71.08 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.987 -0.445 . . . . 25.0 110.955 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.88 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -44.46 96.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.8 t -71.21 -26.71 63.06 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.583 -0.698 . . . . 25.0 110.49 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -72.31 -31.62 65.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.976 -0.452 . . . . 25.0 110.662 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.72 -19.01 61.47 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.94 114.66 2.12 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.393 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.13 87.24 0.77 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.58 0.705 . . . . 25.0 109.526 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -123.43 1.06 8.95 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.936 -0.575 . . . . 25.0 112.503 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.9 167.5 16.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 -174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.19 148.89 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.306 0.379 . . . . 25.0 110.245 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.23 -47.19 87.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 25.0 110.095 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.43 -32.58 71.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.851 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -62.8 -29.35 70.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.732 0.813 . . . . 25.0 111.375 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.84 -42.58 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.933 0.873 . . . . 25.0 109.618 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -64.23 -32.06 73.5 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -174.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.42 -28.8 67.27 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.443 0.535 . . . . 25.0 112.443 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.0 mtm -76.67 -36.57 57.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.699 0.762 . . . . 25.0 109.375 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.72 -27.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.11 64.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.8 -27.65 17.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.438 0.637 . . . . 25.0 110.739 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.27 90.22 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -151.49 -179.38 7.34 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.622 1.712 . . . . 25.0 115.622 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.41 136.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.932 -1.031 . . . . 25.0 109.225 -176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.24 -24.04 6.65 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.83 -22.08 58.47 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-O 119.611 -0.549 . . . . 25.0 114.062 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -106.81 -28.69 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.425 0.612 . . . . 25.0 111.963 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.65 16.08 28.61 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 118.702 2.241 . . . . 25.0 118.702 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.73 137.16 52.88 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.136 1.468 . . . . 25.0 112.543 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.11 160.42 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -103.43 129.22 50.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 104.627 -2.36 . . . . 25.0 104.627 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -77.89 -24.01 48.58 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -172.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.76 -39.57 91.18 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.022 -0.424 . . . . 25.0 111.753 -176.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -84.22 -27.67 27.81 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.726 -0.608 . . . . 25.0 110.024 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.402 ' CE2' HD21 ' A' ' 105' ' ' LEU . 28.7 t80 -71.86 -36.41 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.938 -0.705 . . . . 25.0 111.502 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.02 -26.02 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.261 -1.014 . . . . 25.0 108.261 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -76.16 -40.72 51.85 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.7 ttm -58.22 -48.38 80.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.473 0.309 . . . . 25.0 111.199 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.21 -4.25 13.36 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.534 0.36 0 O-C-N 121.784 -0.572 . . . . 25.0 111.808 178.804 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 . . . . . 0 C--O 1.223 -0.31 0 CA-C-O 120.638 0.256 . . . . 25.0 111.39 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.17 -24.99 57.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.598 -0.841 . . . . 25.0 110.637 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.99 -34.05 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.35 87.17 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.978 -0.451 . . . . 25.0 109.835 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.53 -43.02 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.011 0.369 . . . . 25.0 110.259 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.38 -44.0 79.79 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.95 -45.09 83.04 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.923 -0.58 . . . . 25.0 112.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -77.94 -34.27 51.27 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.847 -0.533 . . . . 25.0 112.376 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.66 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -71.5 -45.89 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.358 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -64.97 -20.68 66.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.15 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.71 -22.45 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -116.92 -2.16 11.84 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.51 98.35 6.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -69.8 -27.0 64.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -109.77 -27.82 9.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.84 14.56 39.62 Favored Glycine 0 C--O 1.228 -0.231 0 N-CA-C 111.988 -0.445 . . . . 25.0 111.988 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -80.48 -7.23 59.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.895 0.378 . . . . 25.0 111.717 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.87 22.22 50.3 Favored Glycine 0 C--O 1.241 0.554 0 C-N-CA 121.301 -0.476 . . . . 25.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -131.56 162.85 29.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.462 0.649 . . . . 25.0 112.384 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -134.09 167.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.3 p -88.47 167.48 13.41 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.545 -0.862 . . . . 25.0 108.676 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 p -58.48 -31.79 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.204 0.526 . . . . 25.0 110.886 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -65.87 -39.71 90.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.727 0.775 . . . . 25.0 110.619 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.56 -8.79 58.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.014 -0.994 . . . . 25.0 112.848 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.98 -46.4 71.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.073 0.463 . . . . 25.0 111.173 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -36.88 91.28 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.668 -0.777 . . . . 25.0 112.551 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -38.67 82.89 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.429 -0.453 . . . . 25.0 112.021 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.64 -45.18 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 mtt -60.57 -43.16 97.59 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.232 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.31 -26.2 65.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -72.28 -22.19 61.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.812 0.339 . . . . 25.0 110.585 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.7 4.04 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 25.0 109.808 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.88 1.28 90.21 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.258 -0.496 . . . . 25.0 112.644 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -84.95 135.23 34.13 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -106.29 92.29 6.66 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 121.074 0.464 . . . . 25.0 110.856 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.19 162.58 33.89 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 116.863 -1.624 . . . . 25.0 109.312 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 p -84.53 158.64 20.89 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.569 -1.641 . . . . 25.0 106.569 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.61 -30.36 69.07 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.51 -0.744 . . . . 25.0 110.435 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.97 84.06 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.027 0.441 . . . . 25.0 110.334 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.32 -46.43 89.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.05 -42.42 89.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.35 -53.05 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.512 0.196 . . . . 25.0 111.225 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.51 -35.99 78.26 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.653 -0.419 . . . . 25.0 111.817 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 mtt -64.71 -34.72 78.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 25.0 110.118 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -70.82 -38.97 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.07 -37.78 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 117.917 0.326 . . . . 25.0 110.54 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.8 -38.31 87.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.629 -0.669 . . . . 25.0 111.289 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.95 -33.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 25.0 110.245 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.76 -28.89 67.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 25.0 110.271 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.81 78.87 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.762 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.93 -25.28 40.55 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 122.104 0.954 . . . . 25.0 108.59 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.23 82.11 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.223 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -71.1 -28.74 64.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.191 0.52 . . . . 25.0 112.398 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.96 -9.61 1.43 Allowed Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.538 1.375 . . . . 25.0 116.538 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -132.75 165.79 23.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.694 0.747 . . . . 25.0 110.795 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.6 125.02 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.75 168.67 18.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.45 0.643 . . . . 25.0 111.016 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.08 -47.78 96.08 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 114.302 1.223 . . . . 25.0 114.302 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.93 -25.4 44.93 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 113.069 -4.154 . . . . 25.0 113.605 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.52 -31.4 63.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.863 -0.523 . . . . 25.0 109.846 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.16 -41.88 99.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.69 -33.64 76.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 mmt -62.86 -37.76 88.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.63 -0.669 . . . . 25.0 109.779 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.8 mmt . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.983 0.421 . . . . 25.0 110.877 178.062 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 . . . . . 0 C--O 1.223 -0.334 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.98 -41.4 96.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.78 -38.94 83.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.16 -40.87 94.92 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.764 -0.585 . . . . 25.0 109.956 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.87 -39.35 90.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 25.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.48 81.25 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.819 0.342 . . . . 25.0 111.087 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.26 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.57 -19.37 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -104.9 9.72 34.58 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.988 0.423 . . . . 25.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -75.73 114.06 13.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.382 . . . . 25.0 110.169 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' HE22 ' A' ' 135' ' ' GLN . 1.5 ttpt -68.92 -44.7 72.55 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -114.56 0.43 13.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -174.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.49 58.42 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 107.796 -2.122 . . . . 25.0 107.796 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -119.07 9.8 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.38 0.672 . . . . 25.0 112.673 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.05 7.59 85.17 Favored Glycine 0 C--O 1.235 0.181 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.05 132.25 49.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.311 1.055 . . . . 25.0 112.406 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 pt -125.32 157.16 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -71.86 150.88 43.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.518 -0.738 . . . . 25.0 110.104 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.84 77.61 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.107 0.479 . . . . 25.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -75.82 -35.78 59.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.62 -41.92 99.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -61.0 -39.15 88.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.66 -49.72 74.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.82 -39.06 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 117.971 0.351 . . . . 25.0 110.087 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -59.45 -41.01 88.65 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.92 -0.488 . . . . 25.0 110.788 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -69.71 -30.56 68.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.851 0.834 . . . . 25.0 110.303 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -21.6 61.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.985 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -1.49 14.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.42 -174.41 44.65 Favored Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.65 -0.786 . . . . 25.0 112.85 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.45 148.08 45.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -134.21 151.11 51.15 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.64 -36.58 60.14 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.259 0.349 . . . . 25.0 111.933 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.87 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.506 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.51 62.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -28.57 69.61 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.324 -0.853 . . . . 25.0 109.853 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.5 -25.6 65.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.681 0.753 . . . . 25.0 110.326 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.84 -42.52 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.6 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -61.06 -30.11 70.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.033 0.444 . . . . 25.0 111.423 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.8 ttp -76.53 -39.24 53.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.98 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.17 -40.38 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.128 -0.358 . . . . 25.0 110.956 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -64.67 -10.63 28.33 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.867 1.802 . . . . 25.0 115.867 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.73 -31.39 63.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.334 0.587 . . . . 25.0 109.577 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.62 157.65 20.3 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.436 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.98 140.72 56.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -124.62 130.68 73.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.38 163.15 28.47 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 123.556 0.742 . . . . 25.0 111.407 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.17 66.4 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 114.841 0.696 . . . . 25.0 114.841 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -80.28 7.06 10.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.108 0.954 . . . . 25.0 110.846 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 35.01 42.37 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 110.659 -0.976 . . . . 25.0 110.659 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.493 HE22 ' HB2' ' A' ' 94' ' ' LYS . 32.0 mt-30 -116.25 155.75 27.79 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.23 153.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 130.42 35.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -82.99 -26.0 31.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.438 1.644 . . . . 25.0 115.438 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -70.83 -37.22 73.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.331 0.969 . . . . 25.0 111.611 -175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -74.42 -33.81 63.07 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -42.43 79.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.84 -35.89 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.494 -0.754 . . . . 25.0 111.539 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -73.39 -29.3 62.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.705 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.1 ttp -63.97 -30.91 71.95 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.892 -0.505 . . . . 25.0 110.212 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.3 mtt -63.29 -18.42 63.58 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.76 0.314 . . . . 25.0 111.785 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -177.031 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 121.525 0.679 . . . . 25.0 109.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.64 -30.14 68.79 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.126 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.4 -37.29 77.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.01 90.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.03 -42.42 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.897 0.38 . . . . 25.0 110.609 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.02 -36.99 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -65.26 -43.6 90.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.98 -43.22 93.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.5 87.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.053 0.454 . . . . 25.0 111.724 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.291 0.567 . . . . 25.0 109.579 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -63.42 -20.39 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.52 -24.78 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.54 -1.56 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.0 1.111 . . . . 25.0 114.0 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -72.42 104.79 3.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.106 -1.813 . . . . 25.0 106.106 172.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -68.19 -33.99 75.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -116.44 -25.21 7.55 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 115.835 1.791 . . . . 25.0 115.835 -169.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 12.14 33.96 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.494 -0.643 . . . . 25.0 111.494 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.23 -7.85 59.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.963 0.411 . . . . 25.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.55 27.78 46.07 Favored Glycine 0 C--O 1.235 0.201 0 C-N-CA 121.085 -0.579 . . . . 25.0 112.289 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -131.55 158.47 40.88 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -137.06 175.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -98.79 163.84 12.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 p -56.11 -42.55 77.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.423 0.63 . . . . 25.0 110.691 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -63.72 -37.5 87.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.068 0.461 . . . . 25.0 111.826 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -75.45 -6.89 52.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.12 -40.44 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.457 0.646 . . . . 25.0 109.721 174.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.07 -33.1 86.33 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 111.419 -0.672 . . . . 25.0 111.419 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -37.63 73.46 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.241 -0.564 . . . . 25.0 111.253 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.97 -47.49 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.5 mmm -58.22 -44.36 88.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.406 0.622 . . . . 25.0 109.85 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.07 -37.18 71.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.687 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -73.84 -22.46 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.623 -0.431 . . . . 25.0 112.117 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.02 -4.6 50.89 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.71 -4.73 36.84 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 116.313 1.285 . . . . 25.0 116.313 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -133.31 123.13 24.9 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.558 1.179 . . . . 25.0 110.015 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -103.08 124.5 38.22 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 107.79 -1.189 . . . . 25.0 107.79 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.85 161.25 36.5 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.582 -1.145 . . . . 25.0 110.508 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -73.85 165.38 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -57.01 -33.49 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 25.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.05 57.48 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.503 -0.317 . . . . 25.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.31 -35.44 80.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 25.0 109.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.6 -48.8 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.48 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -63.87 -37.74 88.52 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.163 -0.215 . . . . 25.0 111.154 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.51 -39.32 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.834 0.35 . . . . 25.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.1 mtt -72.62 -37.62 68.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 25.0 111.052 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.52 -31.82 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.84 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.32 -35.24 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.971 -0.456 . . . . 25.0 112.189 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.66 -28.24 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.569 -0.707 . . . . 25.0 111.139 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.67 -31.06 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.605 0.716 . . . . 25.0 110.676 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.5 -14.1 47.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.694 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.14 74.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.422 -0.354 . . . . 25.0 110.681 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -95.74 -26.96 15.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.929 0.871 . . . . 25.0 109.188 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.98 84.47 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.246 -0.888 . . . . 25.0 115.045 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -66.94 -25.97 66.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 117.686 0.743 . . . . 25.0 112.393 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.28 10.81 82.06 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 121.708 -0.282 . . . . 25.0 113.461 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.7 p -131.3 156.79 44.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.082 0.441 . . . . 25.0 110.779 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -135.75 122.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -83.26 174.27 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.106 0.955 . . . . 25.0 108.912 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.1 -48.73 87.54 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.69 -23.95 35.63 Favored 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 112.713 -4.391 . . . . 25.0 113.704 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -70.81 -37.93 73.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -59.77 -44.64 93.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.88 -37.16 83.87 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.119 -0.363 . . . . 25.0 110.672 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -64.6 -39.3 93.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 ttm -64.33 -38.97 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.904 0.383 . . . . 25.0 110.892 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 121.815 0.817 . . . . 25.0 109.991 177.317 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 CA--C 1.528 0.11 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.74 -39.37 91.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.24 -42.29 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 121.751 -0.593 . . . . 25.0 109.536 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -68.83 -39.6 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.193 -0.317 . . . . 25.0 111.13 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -75.76 -25.53 56.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.93 77.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.548 -0.72 . . . . 25.0 111.234 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -69.09 -28.42 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.284 0.564 . . . . 25.0 110.059 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -77.55 -10.38 59.46 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.41 -23.54 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -98.46 -4.99 33.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.048 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -74.98 151.21 38.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -49.91 4.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -174.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -128.94 10.95 6.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.12 0.486 . . . . 25.0 111.658 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.88 21.47 36.19 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 108.155 -1.978 . . . . 25.0 108.155 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.65 -5.78 39.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.94 -3.25 85.92 Favored Glycine 0 N--CA 1.462 0.388 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -138.89 159.54 41.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.638 0.719 . . . . 25.0 110.913 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -135.76 164.61 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 m -78.98 154.3 29.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.97 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.946 0.403 . . . . 25.0 110.876 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.08 95.53 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 109.809 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.46 -38.45 71.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.467 HD22 HG21 ' A' ' 136' ' ' VAL . 54.1 tp -60.4 -41.64 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -38.9 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -65.89 -48.45 71.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.345 -0.242 . . . . 25.0 110.345 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.96 -42.69 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.947 0.403 . . . . 25.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.4 mtt -63.24 -33.44 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.73 -0.606 . . . . 25.0 111.157 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.9 m -73.5 -35.46 65.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.91 -36.49 82.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.22 -34.39 78.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.394 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.37 146.44 5.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.667 -0.777 . . . . 25.0 113.425 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.88 159.39 32.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -134.75 156.87 48.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.66 -40.22 17.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -118.88 164.74 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.451 0.643 . . . . 25.0 109.854 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.68 -24.38 41.8 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.33 -35.08 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.3 -28.28 69.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.834 0.35 . . . . 25.0 111.434 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.67 -43.38 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -29.75 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.16 -38.18 79.12 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 110.186 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtm -79.3 -27.83 42.2 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.068 -0.395 . . . . 25.0 111.038 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.95 -36.83 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -61.91 -34.52 76.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.383 -0.372 . . . . 25.0 111.289 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -83.04 -24.15 32.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 165.22 8.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.099 -0.955 . . . . 25.0 112.652 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -79.52 47.61 0.84 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.115 0.966 . . . . 25.0 112.727 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.0 pt -70.09 158.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.181 0.991 . . . . 25.0 113.513 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -149.69 178.12 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 104.138 -2.541 . . . . 25.0 104.138 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.4 -26.82 57.31 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 116.057 1.183 . . . . 25.0 116.057 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.98 -5.48 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.559 0.679 . . . . 25.0 112.256 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.54 38.89 86.93 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.781 -0.723 . . . . 25.0 114.142 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -118.03 153.62 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.467 HG21 HD22 ' A' ' 105' ' ' LEU . 13.5 m -145.03 150.65 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.639 0.776 . . . . 25.0 109.057 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.95 145.53 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -93.55 -23.51 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.66 -44.3 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -173.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.14 -32.71 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.942 0.401 . . . . 25.0 109.996 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -69.37 -40.25 77.56 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.06 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.27 -47.1 93.72 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.69 -39.7 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.428 0.291 . . . . 25.0 110.977 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.08 -39.68 93.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.905 0.383 . . . . 25.0 111.799 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.5 mtt -82.31 -33.45 28.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.0 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -179.452 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 C--O 1.223 -0.311 0 CA-C-O 121.309 0.576 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -73.54 -30.38 63.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.105 -0.372 . . . . 25.0 110.346 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.44 -37.19 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.893 -0.505 . . . . 25.0 109.792 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.77 -39.92 93.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.97 0.35 . . . . 25.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.826 -0.546 . . . . 25.0 110.518 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.39 99.62 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.305 0.642 . . . . 25.0 110.797 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.29 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.874 0.368 . . . . 25.0 111.154 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.77 -45.56 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.631 0.729 . . . . 25.0 110.223 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -68.45 -22.06 64.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.523 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -25.64 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.75 0.278 . . . . 25.0 111.75 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -109.45 -4.45 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.52 104.13 8.93 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -69.36 -21.65 63.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.23 -27.74 4.82 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 -173.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 13.79 39.32 Favored Glycine 0 C--N 1.322 -0.248 0 C-N-CA 121.518 -0.373 . . . . 25.0 113.291 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.86 -11.74 59.86 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.948 0.404 . . . . 25.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.5 27.84 21.25 Favored Glycine 0 C--O 1.235 0.175 0 C-N-CA 121.445 -0.407 . . . . 25.0 113.409 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -134.59 149.89 50.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.81 173.42 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 51.7 p -94.96 160.02 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -61.4 -30.48 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.676 0.751 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -73.42 -31.35 63.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.232 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.13 -12.68 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.607 -0.269 . . . . 25.0 111.236 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.29 -39.47 69.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.926 0.393 . . . . 25.0 109.97 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.23 -42.28 99.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.495 -0.859 . . . . 25.0 111.732 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -41.83 67.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.464 -0.433 . . . . 25.0 111.674 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.25 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -62.42 -22.68 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -64.57 -23.89 67.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.186 -0.321 . . . . 25.0 111.11 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.91 4.88 35.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.189 0.518 . . . . 25.0 110.768 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 5.8 82.72 Favored Glycine 0 C--O 1.229 -0.217 0 C-N-CA 121.425 -0.417 . . . . 25.0 113.917 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -130.29 130.91 45.11 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -135.77 148.18 64.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -77.48 174.12 13.18 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 110.104 -0.768 . . . . 25.0 110.104 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -71.21 163.89 26.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.33 61.02 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.57 -33.19 74.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.266 0.555 . . . . 25.0 110.271 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.95 -41.61 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -68.22 -39.4 82.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -42.71 95.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.341 0.591 . . . . 25.0 109.902 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mtt -64.75 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.877 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.64 -43.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.11 -39.62 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 122.126 0.17 . . . . 25.0 111.284 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.41 -31.36 44.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -14.79 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -19.23 65.77 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.21 -0.931 . . . . 25.0 110.67 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.28 -24.96 61.18 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.2 -21.64 66.64 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.29 1.043 . . . . 25.0 111.869 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.71 5.98 88.38 Favored Glycine 0 C--O 1.229 -0.168 0 CA-C-N 113.649 -1.614 . . . . 25.0 112.555 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -105.3 -27.93 11.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.44 87.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.762 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 23.7 p -120.88 159.06 26.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.599 0.36 . . . . 25.0 111.071 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.92 119.93 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 104.401 -2.444 . . . . 25.0 104.401 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.64 173.92 8.74 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.16 -42.94 84.2 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.06 -26.94 50.2 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 112.805 -4.33 . . . . 25.0 114.108 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.59 -35.08 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.187 0.994 . . . . 25.0 109.055 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.14 -39.76 90.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.19 -38.31 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -67.07 -24.46 65.97 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.951 0.796 . . . . 25.0 111.01 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttm -63.62 -27.32 69.15 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.626 -0.672 . . . . 25.0 109.191 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 177.764 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.217 -0.645 0 N-CA-C 117.308 2.336 . . . . 25.0 117.308 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.43 -38.33 80.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.484 1.038 . . . . 25.0 111.337 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.57 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.447 0.641 . . . . 25.0 109.723 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -73.29 -35.99 66.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 25.0 110.856 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -28.08 69.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.646 0.378 . . . . 25.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.96 72.0 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.754 -0.591 . . . . 25.0 111.669 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.99 -23.07 28.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.11 0.481 . . . . 25.0 110.593 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -67.63 -15.24 63.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.424 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.1 -25.4 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -104.38 4.42 33.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.61 129.16 39.73 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.091 0.472 . . . . 25.0 110.414 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -72.03 -42.92 65.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -128.83 -5.18 5.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.69 5.05 63.3 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.465 -0.398 . . . . 25.0 112.641 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -96.13 11.8 33.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.417 0.609 . . . . 25.0 112.293 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.87 16.09 56.87 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.855 -0.688 . . . . 25.0 114.345 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.27 142.69 50.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 pt -135.62 164.23 33.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 N-CA-C 104.89 -2.263 . . . . 25.0 104.89 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 p -81.83 162.95 22.65 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 120.759 -1.213 . . . . 25.0 108.363 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.15 68.72 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.545 0.688 . . . . 25.0 109.289 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.53 80.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.08 -35.71 78.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.4 tp -58.58 -47.74 83.28 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -67.56 -35.98 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 119.832 -0.747 . . . . 25.0 110.447 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.22 -49.5 76.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.85 0.295 . . . . 25.0 110.216 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.3 -45.79 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ttm -61.32 -41.92 97.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 115' ' ' LYS . 6.9 t -78.08 -24.6 47.56 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.611 -0.681 . . . . 25.0 110.605 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.17 -31.77 66.25 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.1 -0.375 . . . . 25.0 110.721 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.5 -32.56 12.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.97 12.38 10.73 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.975 1.55 . . . . 25.0 116.975 -176.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.02 46.05 19.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' H ' ' HA ' ' A' ' 110' ' ' THR . 71.3 mmtt -55.97 115.94 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.59 -42.62 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -118.87 156.62 29.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -67.63 -37.77 82.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.34 -30.8 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.57 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.73 -28.7 67.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.473 0.654 . . . . 25.0 111.044 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.01 -41.5 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 25.0 109.671 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.69 -44.16 77.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.01 -36.24 67.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 25.0 112.177 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 47.2 ttp -73.39 -38.68 65.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 25.0 110.677 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.27 -35.29 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.222 -0.445 . . . . 25.0 109.9 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -55.37 -32.01 62.23 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.94 -36.49 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.75 -19.52 35.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -136.94 163.96 29.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -174.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.3 21.15 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.14 99.74 0.1 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.48 -0.23 76.53 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 115.295 0.878 . . . . 25.0 115.295 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -106.69 -24.56 12.08 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.234 1.017 . . . . 25.0 112.236 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.3 45.89 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.866 -0.607 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -117.79 130.57 56.38 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.302 0.551 . . . . 25.0 111.645 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.63 160.61 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.764 0.426 . . . . 25.0 109.979 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -96.41 152.41 18.63 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.979 -1.859 . . . . 25.0 105.979 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -104.35 -5.98 21.24 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.5 -48.92 70.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.59 0.71 . . . . 25.0 110.498 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -68.89 -31.88 71.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.572 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -31.72 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.325 -0.55 . . . . 25.0 111.704 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.82 -46.57 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 122.071 -0.393 . . . . 25.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -31.82 70.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.3 ttp -70.07 -29.34 66.3 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.852 -0.53 . . . . 25.0 111.944 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.8 mtt -79.19 -4.18 49.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.364 0.875 . . . . 25.0 113.364 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 178.241 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 110.55 -0.166 . . . . 25.0 110.55 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.71 -36.83 73.43 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.93 -37.1 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.12 93.62 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.277 -0.264 . . . . 25.0 110.947 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.01 -45.27 93.31 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.32 -40.21 95.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 25.0 109.828 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 4.1 tmtt? -61.74 -44.56 96.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.618 0.229 . . . . 25.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -68.74 -39.21 80.47 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.895 -0.722 . . . . 25.0 111.017 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.02 79.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 25.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.62 -46.39 66.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.534 0.683 . . . . 25.0 109.312 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 23.0 t -66.99 -17.1 64.77 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.66 -32.34 71.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.167 0.508 . . . . 25.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -105.62 -12.2 16.04 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -81.71 81.83 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.402 1.096 . . . . 25.0 108.075 175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.92 -9.51 58.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.717 -1.129 . . . . 25.0 113.093 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -108.7 -27.45 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.57 16.56 42.26 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.619 -0.719 . . . . 25.0 112.039 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.14 -16.88 59.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.87 0.366 . . . . 25.0 111.814 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 17.17 73.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 121.257 -0.497 . . . . 25.0 112.173 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.5 p -132.7 165.16 25.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 25.0 111.39 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 pt -135.42 166.81 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 104.924 -2.25 . . . . 25.0 104.924 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -86.1 161.7 18.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 p -58.51 -38.47 77.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.403 0.621 . . . . 25.0 110.005 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.12 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.993 0.425 . . . . 25.0 111.616 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.91 -7.81 59.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.79 -41.69 70.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.503 0.668 . . . . 25.0 109.93 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.34 -37.87 93.17 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.266 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.16 -0.612 . . . . 25.0 111.84 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.66 -47.63 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.58 -43.0 99.67 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 25.0 110.363 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -56.12 -36.16 67.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.72 0.295 . . . . 25.0 111.022 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -71.54 -22.11 61.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.56 0.49 56.29 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.44 -1.24 88.47 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 111.521 -0.631 . . . . 25.0 111.521 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.12 123.64 30.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.43 92.26 47.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.76 164.67 33.14 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 117.318 -1.321 . . . . 25.0 109.801 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.08 158.92 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.07 -33.22 72.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.77 76.96 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.277 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.64 -39.64 92.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.931 0.395 . . . . 25.0 110.471 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.41 -43.12 95.4 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.02 -49.35 76.4 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -58.42 -43.43 88.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.993 0.425 . . . . 25.0 111.697 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.1 -34.37 76.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.035 -0.416 . . . . 25.0 111.604 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.36 -43.2 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.695 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.31 -38.95 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -57.56 -30.41 65.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.93 -36.98 6.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.208 0.528 . . . . 25.0 111.107 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -25.73 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.138 -0.351 . . . . 25.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.28 79.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.639 0.257 . . . . 25.0 111.336 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.04 -19.23 51.92 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.34 7.23 76.74 Favored Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.88 1.112 . . . . 25.0 115.88 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.66 -28.22 64.63 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.269 1.035 . . . . 25.0 111.955 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.28 -3.81 3.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 116.969 1.548 . . . . 25.0 116.969 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.1 p -129.53 159.52 36.08 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.819 0.809 . . . . 25.0 110.628 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -133.04 126.25 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.042 -1.836 . . . . 25.0 106.042 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -82.61 173.57 11.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.01 0.909 . . . . 25.0 109.719 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.25 -46.43 61.27 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -66.16 -24.72 51.28 Favored 'Trans proline' 0 C--N 1.355 0.883 1 C-N-CA 112.183 -4.745 . . . . 25.0 113.47 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -69.88 -36.23 75.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.893 -0.504 . . . . 25.0 110.331 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -55.93 -38.96 70.98 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.341 0.591 . . . . 25.0 109.765 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -77.76 -36.1 50.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.624 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 m -64.27 -34.91 79.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.425 0.29 . . . . 25.0 111.307 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.8 mtt -58.3 -28.4 64.98 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.951 -0.468 . . . . 25.0 112.059 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.1 mtt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 122.12 -0.362 . . . . 25.0 111.115 -179.4 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 CA--C 1.499 -0.99 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.1 -20.21 65.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.455 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.45 -45.76 77.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -69.72 -34.77 74.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -61.04 -33.45 73.31 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.903 0.382 . . . . 25.0 111.278 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.31 70.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.804 0.335 . . . . 25.0 111.572 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.04 -30.68 19.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.326 0.584 . . . . 25.0 109.855 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -63.57 -19.66 65.0 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.37 0.668 . . . . 25.0 112.478 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.4 -18.66 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 121.897 -0.502 . . . . 25.0 110.92 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -97.26 -10.9 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.831 -0.543 . . . . 25.0 112.372 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -86.55 89.37 7.89 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -69.99 -25.63 63.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.16 -6.9 14.52 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 -175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.22 30.08 38.8 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.32 -22.94 60.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 0.72 74.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -138.93 155.19 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.414 -0.462 . . . . 25.0 111.201 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -139.12 169.38 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -71.25 147.56 48.07 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.56 -26.0 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.82 84.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.267 0.556 . . . . 25.0 109.706 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.3 -36.92 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.21 -43.29 96.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -62.94 -38.41 90.93 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.365 -0.21 . . . . 25.0 110.44 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.68 -45.61 93.26 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.634 -0.426 . . . . 25.0 110.746 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.44 -40.57 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.0 mtt -57.85 -48.36 80.03 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.208 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -67.42 -38.59 84.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.889 0.376 . . . . 25.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.91 -43.32 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.439 0.638 . . . . 25.0 109.422 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -90.43 31.77 1.0 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.882 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.02 122.54 2.51 Favored Glycine 0 CA--C 1.517 0.187 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.52 175.35 5.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.251 0.548 . . . . 25.0 110.914 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -136.09 173.52 11.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 104.975 -2.232 . . . . 25.0 104.975 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -58.77 3.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.458 0.572 . . . . 25.0 110.091 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.5 p -118.41 161.64 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.73 -23.08 66.67 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.7 -35.49 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.315 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -69.49 -23.02 63.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.068 0.461 . . . . 25.0 110.884 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.16 -42.81 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.96 -38.25 85.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.72 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.31 -43.85 33.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.135 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -70.48 -39.78 74.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.58 0.705 . . . . 25.0 111.225 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.42 -36.98 74.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.779 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 124.028 0.931 . . . . 25.0 113.227 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -15.37 59.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -177.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.83 148.11 24.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -77.85 82.41 4.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 mm -76.88 116.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.75 168.18 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.03 58.17 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 115.34 0.896 . . . . 25.0 115.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 25.0 110.649 177.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.75 23.3 76.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.152 -0.546 . . . . 25.0 113.408 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -117.62 147.37 42.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.61 148.04 23.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.019 0.438 . . . . 25.0 111.797 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -78.14 100.13 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -68.17 -33.37 74.34 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -170.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.3 -42.86 99.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.664 1.12 . . . . 25.0 112.708 -174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -67.17 -35.44 79.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.81 -38.37 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.977 0.418 . . . . 25.0 110.984 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.44 -43.08 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -61.17 -44.69 96.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.9 ttm -61.06 -41.5 96.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.4 ptp -79.03 -26.52 43.19 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.075 -0.65 . . . . 25.0 110.979 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 122.548 1.166 . . . . 25.0 108.724 176.563 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.392 0 CA-C-O 118.36 -0.829 . . . . 25.0 109.199 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -81.16 -16.48 52.81 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 119.574 1.079 . . . . 25.0 112.412 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -73.64 -22.42 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -160.43 144.78 14.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -83.55 157.76 22.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.315 0.578 . . . . 25.0 109.565 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -62.22 -21.13 64.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.304 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -64.83 -35.48 81.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.194 0.521 . . . . 25.0 110.616 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.73 -35.7 67.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.9 -32.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.46 84.38 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.55 -38.95 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.983 0.356 . . . . 25.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -60.11 -36.54 77.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.855 -0.528 . . . . 25.0 109.867 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -73.74 -44.0 57.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.657 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.48 -42.2 92.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 118.196 0.453 . . . . 25.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.35 80.22 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 122.249 -0.282 . . . . 25.0 111.094 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -72.68 -46.36 54.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.337 0.589 . . . . 25.0 109.867 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 t -64.42 -21.96 66.81 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.226 -0.443 . . . . 25.0 112.131 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.92 -23.5 65.3 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.46 0.304 . . . . 25.0 111.622 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -117.51 -2.07 11.57 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -78.22 76.81 4.73 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.292 1.044 . . . . 25.0 108.46 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -67.28 -37.89 84.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.755 -1.112 . . . . 25.0 113.696 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.46 -25.23 39.01 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.594 -0.73 . . . . 25.0 112.06 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.64 15.72 70.14 Favored Glycine 0 CA--C 1.516 0.139 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.656 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -93.89 2.14 56.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.331 0.586 . . . . 25.0 110.067 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.8 28.14 43.56 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.494 -0.86 . . . . 25.0 111.749 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -130.0 158.93 38.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.594 0.591 . . . . 25.0 112.594 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.6 pt -135.27 169.72 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 104.797 -2.297 . . . . 25.0 104.797 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 p -85.17 160.59 19.88 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.4 p -57.34 -35.59 70.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.786 0.327 . . . . 25.0 111.797 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -78.98 -22.55 45.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.72 -12.26 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.273 -0.267 . . . . 25.0 110.953 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -55.75 -41.44 73.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.158 0.504 . . . . 25.0 110.981 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.84 -36.87 92.75 Favored Glycine 0 C--O 1.225 -0.433 0 C-N-CA 120.751 -0.738 . . . . 25.0 111.401 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -37.04 76.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.189 -0.595 . . . . 25.0 111.8 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.86 -45.82 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 31.8 ttm -63.6 -39.77 95.23 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.249 0.547 . . . . 25.0 110.54 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -63.76 -32.09 73.48 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.428 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t -69.3 -22.89 63.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 110.21 -0.293 . . . . 25.0 110.21 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.8 mt -89.35 0.65 56.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.789 -0.448 . . . . 25.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.32 -5.08 67.62 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 116.691 1.436 . . . . 25.0 116.691 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -107.3 137.79 44.71 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.927 1.363 . . . . 25.0 110.146 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.83 105.14 55.98 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-O 121.214 0.53 . . . . 25.0 110.759 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.07 160.35 36.7 Favored 'Trans proline' 0 C--N 1.349 0.555 0 CA-C-O 120.99 0.329 . . . . 25.0 112.734 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -75.79 147.38 39.26 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.69 -30.59 71.61 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.07 -0.394 . . . . 25.0 110.897 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.07 82.23 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -70.33 -37.92 74.77 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.3 -38.42 77.01 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.641 -0.254 . . . . 25.0 111.026 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -59.43 -44.91 92.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.62 -0.264 . . . . 25.0 110.515 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.13 -32.48 63.18 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.677 0.275 . . . . 25.0 111.665 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.7 mtt -59.23 -35.2 73.23 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.252 0.549 . . . . 25.0 110.782 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.87 -38.09 74.79 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.882 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.6 mm -63.59 -38.04 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.462 0.649 . . . . 25.0 111.09 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -69.04 -10.04 55.58 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.84 -42.87 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.164 0.507 . . . . 25.0 111.896 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -134.34 66.9 1.53 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.129 0.966 . . . . 25.0 110.827 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -16.92 63.65 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.246 -0.888 . . . . 25.0 113.18 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -88.22 -18.54 28.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.566 0.698 . . . . 25.0 110.904 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.12 32.35 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 114.95 0.74 . . . . 25.0 114.95 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -64.79 -27.82 69.15 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 117.41 0.605 . . . . 25.0 110.536 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.97 52.22 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.3 p -129.82 158.74 38.63 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.862 1.831 . . . . 25.0 113.784 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.5 mt -138.01 128.85 37.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.416 -2.068 . . . . 25.0 105.416 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.5 169.3 12.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.317 1.056 . . . . 25.0 110.901 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.61 -45.69 76.47 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -65.4 -25.69 56.06 Favored 'Trans proline' 0 C--N 1.358 1.054 1 C-N-CA 112.786 -4.343 . . . . 25.0 113.757 177.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.94 -43.0 65.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -55.79 -44.98 78.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.395 0.617 . . . . 25.0 110.128 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.04 -36.7 77.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.438 -0.346 . . . . 25.0 111.865 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -64.41 -37.62 88.14 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.01 -0.431 . . . . 25.0 109.916 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.5 ttm -60.16 -46.18 90.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.12 -45.32 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 25.0 109.873 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.4 -27.76 69.31 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -67.93 -43.01 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.184 -0.322 . . . . 25.0 110.308 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -73.0 -33.03 65.53 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.499 0.19 . . . . 25.0 110.885 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -3.92 7.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.412 1.634 . . . . 25.0 115.412 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.17 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.475 -0.765 . . . . 25.0 110.104 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.99 142.97 39.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.909 -1.041 . . . . 25.0 112.791 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -142.53 143.38 32.48 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -75.3 -36.53 61.13 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 t -67.07 -51.93 48.4 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.05 -37.42 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.613 -0.679 . . . . 25.0 111.372 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.43 -35.77 79.89 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.12 -43.91 95.29 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.071 0.463 . . . . 25.0 110.381 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.73 -41.05 84.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -63.43 -31.89 73.17 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.88 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.07 -47.8 77.29 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.789 0.722 . . . . 25.0 112.026 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.8 85.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.048 0.451 . . . . 25.0 111.113 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -73.44 -23.44 60.11 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -57.24 -29.52 63.85 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 113.777 1.028 . . . . 25.0 113.777 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 p -78.87 -11.4 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -94.57 -25.44 16.81 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.835 0.679 . . . . 25.0 112.835 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -85.38 89.46 7.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.069 -1.086 . . . . 25.0 108.069 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -74.58 -24.35 58.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 114.078 1.14 . . . . 25.0 114.078 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -105.69 -8.98 17.56 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 -174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.0 31.72 61.57 Favored Glycine 0 C--N 1.331 0.273 0 N-CA-C 109.186 -1.565 . . . . 25.0 109.186 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -91.01 -14.94 30.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.87 -25.48 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.545 -0.722 . . . . 25.0 112.836 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -116.61 139.31 50.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.46 161.66 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.337 -1.357 . . . . 25.0 107.337 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 t -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.555 -0.715 . . . . 25.0 109.134 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.88 66.27 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.463 0.649 . . . . 25.0 110.541 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.98 -31.03 71.69 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.045 0.45 . . . . 25.0 110.641 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -82.08 -37.4 26.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.71 -41.3 97.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -59.26 -35.26 73.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.446 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -67.13 -43.27 82.83 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.54 -47.6 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -32.93 68.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.093 0.473 . . . . 25.0 112.142 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.7 m -79.52 -36.94 37.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 25.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -73.17 -35.3 66.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.297 0.57 . . . . 25.0 112.352 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.6 tp -62.67 -34.56 77.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.705 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.67 173.85 36.65 Favored Glycine 0 C--O 1.218 -0.887 0 N-CA-C 111.458 -0.657 . . . . 25.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.52 33.85 8.56 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.248 1.023 . . . . 25.0 112.396 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -64.66 119.59 10.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.296 -0.865 . . . . 25.0 110.697 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.09 175.19 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 25.0 109.724 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.0 p -66.53 160.93 24.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.57 -33.7 71.77 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -68.03 -36.41 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.818 0.342 . . . . 25.0 111.352 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.29 -34.18 70.41 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.69 0.757 . . . . 25.0 110.732 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.78 -28.69 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 121.823 -0.548 . . . . 25.0 109.791 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.3 -33.93 71.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.968 0.413 . . . . 25.0 111.563 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -53.55 -40.87 65.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.036 0.446 . . . . 25.0 111.383 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.5 mtm -82.56 -32.83 28.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.666 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.37 -41.39 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -52.89 -42.88 65.72 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -31.84 55.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.659 0.742 . . . . 25.0 112.317 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.97 -18.86 35.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.967 1.84 . . . . 25.0 115.967 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.66 135.14 43.73 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.455 1.279 . . . . 25.0 114.455 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.8 mm -113.73 117.5 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.68 -24.79 67.09 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 114.087 1.143 . . . . 25.0 114.087 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -74.91 -29.41 60.95 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 120.756 -0.735 . . . . 25.0 113.053 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.87 -25.52 11.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.37 19.69 79.78 Favored Glycine 0 C--O 1.241 0.543 0 N-CA-C 109.745 -1.342 . . . . 25.0 109.745 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -122.23 162.0 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.575 -0.813 . . . . 25.0 109.969 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.06 144.5 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -69.72 147.02 51.08 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.36 -31.87 8.4 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.802 -0.359 . . . . 25.0 111.469 176.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -68.37 -49.75 57.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -73.84 -26.33 60.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.983 -1.118 . . . . 25.0 107.983 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.0 -41.47 87.74 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.95 -43.0 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.063 0.458 . . . . 25.0 110.167 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.22 -34.31 74.67 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 120.292 -0.563 . . . . 25.0 110.581 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.4 ttp -63.66 -25.07 68.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.12 0.486 . . . . 25.0 111.632 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.7 mtt -73.69 -17.41 61.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.579 -0.701 . . . . 25.0 112.151 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t -123.9 -14.68 7.11 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -141.07 159.69 41.67 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.478 -0.764 . . . . 25.0 110.211 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.253 1.289 0 N-CA-C 103.717 -2.697 . . . . 25.0 103.717 -178.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 110.422 -0.214 . . . . 25.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.79 163.46 13.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.031 0.532 . . . . 25.0 110.062 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -132.75 151.16 52.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.742 0.306 . . . . 25.0 111.033 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.62 131.01 41.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.2 p -78.55 158.19 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.021 0.438 . . . . 25.0 111.449 -176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.85 -33.82 73.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.39 -37.56 87.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.326 0.584 . . . . 25.0 109.944 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.19 -33.32 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.095 -0.378 . . . . 25.0 110.12 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.74 -33.57 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -35.84 81.88 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 122.017 -0.427 . . . . 25.0 110.372 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.59 -39.85 95.44 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.735 -0.603 . . . . 25.0 109.869 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -65.11 -37.73 88.39 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -66.22 -41.32 90.28 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.737 -0.211 . . . . 25.0 111.038 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.09 -41.91 97.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.973 0.416 . . . . 25.0 109.909 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.769 0.319 . . . . 25.0 110.635 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -69.87 -47.92 60.77 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.421 0.629 . . . . 25.0 109.942 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 t -66.3 -20.2 66.03 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -24.07 66.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.798 0.332 . . . . 25.0 111.326 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -114.5 -5.37 12.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -78.86 77.73 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.25 -8.94 26.35 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.383 -0.826 . . . . 25.0 112.431 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -82.63 -28.04 31.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.8 -1.555 . . . . 25.0 106.8 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.8 2.66 69.24 Favored Glycine 0 C--N 1.328 0.095 0 CA-C-N 115.321 -0.854 . . . . 25.0 113.572 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.24 -5.96 58.34 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.89 35.28 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.611 -0.996 . . . . 25.0 110.611 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.5 p -132.33 165.14 24.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 pt -133.08 164.63 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 104.208 -2.516 . . . . 25.0 104.208 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -89.22 161.2 16.56 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.3 p -59.96 -28.17 67.42 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.144 0.973 . . . . 25.0 109.922 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -70.61 -23.77 62.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.145 -0.934 . . . . 25.0 111.377 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.04 -3.78 40.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.518 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.31 -41.95 76.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.681 0.753 . . . . 25.0 109.131 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -30.09 76.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 120.612 -0.804 . . . . 25.0 112.489 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -33.07 62.37 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.237 -0.566 . . . . 25.0 111.716 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.75 -45.46 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -39.46 89.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.289 0.566 . . . . 25.0 110.289 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -64.59 -33.71 76.56 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.004 -0.435 . . . . 25.0 111.083 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -68.68 -30.45 69.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 mt -78.75 4.73 13.02 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.872 0.469 . . . . 25.0 110.561 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.36 -4.39 62.17 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 117.775 1.87 . . . . 25.0 117.775 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -136.49 131.25 33.72 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.899 1.35 . . . . 25.0 111.967 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -83.07 133.77 47.54 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 106.896 -1.52 . . . . 25.0 106.896 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.49 168.23 21.67 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 118.041 -0.839 . . . . 25.0 111.465 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.56 146.9 28.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 175.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -67.21 -29.02 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.735 0.642 . . . . 25.0 112.735 -176.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.83 97.03 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.954 0.406 . . . . 25.0 110.769 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.57 -41.34 93.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.02 -40.67 96.48 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 115.872 -0.604 . . . . 25.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.31 -48.25 82.32 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.686 -0.406 . . . . 25.0 110.522 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -68.02 -35.12 77.76 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.557 -0.457 . . . . 25.0 111.254 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.1 mtt -68.17 -29.47 68.35 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 120.846 0.355 . . . . 25.0 111.541 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -79.63 -36.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.1 mt -60.12 -39.69 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 122.12 -0.362 . . . . 25.0 111.711 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -70.71 -21.55 62.55 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.294 -0.879 . . . . 25.0 112.555 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.13 -38.46 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.84 -12.49 61.59 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.309 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -34.95 79.16 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.16 -27.54 19.51 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 107.343 -1.354 . . . . 25.0 107.343 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.18 10.31 66.29 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 117.331 1.692 . . . . 25.0 117.331 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.87 -29.87 69.89 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.783 1.292 . . . . 25.0 113.744 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.5 -4.1 21.94 Favored Glycine 0 C--O 1.246 0.851 0 C-N-CA 121.215 -0.517 . . . . 25.0 113.989 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 167.7 15.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.21 -2.144 . . . . 25.0 105.21 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.64 112.88 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 105.917 -1.882 . . . . 25.0 105.917 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.71 172.0 13.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.34 -45.75 78.23 Favored Pre-proline 0 C--N 1.315 -0.918 0 C-N-CA 119.754 -0.778 . . . . 25.0 112.901 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -61.77 -31.89 85.87 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 114.323 -3.318 . . . . 25.0 114.464 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -68.82 -37.32 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.671 -0.643 . . . . 25.0 109.476 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -61.39 -41.41 97.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.11 -36.2 81.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.201 -0.312 . . . . 25.0 110.517 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -64.29 -38.27 90.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.9 ttm -65.2 -25.15 67.58 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.063 -0.398 . . . . 25.0 111.019 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -73.95 -34.06 64.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 120.948 -1.095 . . . . 25.0 108.978 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.67 -19.99 65.88 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.962 0.41 . . . . 25.0 111.117 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -54.93 -34.24 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.193 0.521 . . . . 25.0 111.234 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -91.5 -5.13 54.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.244 -0.435 . . . . 25.0 112.088 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.9 ttp -80.14 -17.85 51.39 Favored 'General case' 0 C--O 1.208 -1.105 0 N-CA-C 112.597 0.592 . . . . 25.0 112.597 -177.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 72.87 -158.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 125.02 1.328 . . . . 25.0 111.576 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.41 162.64 36.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 102.824 -3.028 . . . . 25.0 102.824 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t 44.39 38.71 2.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.124 1.527 . . . . 25.0 115.124 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -53.69 -28.33 32.97 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.665 1.728 . . . . 25.0 115.665 -177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -56.31 -31.96 64.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.037 0.384 . . . . 25.0 112.037 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -83.49 -32.72 25.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.555 0.693 . . . . 25.0 111.456 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -89.82 -32.04 17.1 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -60.85 -34.61 74.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 119.005 0.821 . . . . 25.0 111.828 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.66 -41.22 89.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.901 0.858 . . . . 25.0 108.938 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -83.83 -31.79 25.63 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -89.46 -37.54 14.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 115.332 1.604 . . . . 25.0 115.332 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.37 83.58 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 -174.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.36 -23.93 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.744 -0.597 . . . . 25.0 112.142 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -68.99 -27.99 66.2 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.33 -17.68 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.591 -0.443 . . . . 25.0 109.921 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -95.54 -18.23 20.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 25.0 111.062 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -83.48 83.15 7.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 173.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -49.97 -42.73 49.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 116.617 2.08 . . . . 25.0 116.617 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -119.52 9.45 11.53 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -172.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.28 38.26 26.01 Favored Glycine 0 N--CA 1.464 0.528 0 C-N-CA 120.578 -0.82 . . . . 25.0 112.457 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -76.43 -23.88 53.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.4 -3.58 81.99 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 111.665 -0.574 . . . . 25.0 111.665 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -138.9 159.66 41.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.5 pt -135.43 161.96 38.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 t -67.22 143.26 56.62 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.04 -22.83 67.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.793 0.33 . . . . 25.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.42 91.06 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.01 -28.49 57.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.344 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 tp -62.02 -45.26 94.39 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 173.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -62.97 -36.69 84.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 25.0 110.457 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.67 -46.91 87.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.62 -46.64 95.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.895 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.5 mtt -62.33 -39.31 92.63 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.762 1.023 . . . . 25.0 113.762 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 t -75.81 -17.95 59.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.664 -0.648 . . . . 25.0 110.922 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -81.64 0.46 38.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -93.55 5.98 49.77 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 175.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.34 160.18 34.3 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.84 -0.618 . . . . 25.0 114.638 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -69.18 150.35 47.59 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -115.87 163.71 15.47 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -71.5 -42.34 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 25.0 110.924 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -121.07 156.64 31.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.005 -0.543 . . . . 25.0 109.74 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -65.08 -30.15 71.08 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.292 -0.633 . . . . 25.0 109.292 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.15 -32.76 66.71 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 113.017 0.747 . . . . 25.0 113.017 -176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.34 -24.68 67.73 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.926 0.393 . . . . 25.0 111.566 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.13 -43.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.11 -38.27 82.5 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.855 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -65.39 -30.62 71.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 77.8 mtm -69.93 -31.05 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -78.73 -39.37 22.57 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -61.41 -25.52 67.25 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.68 -27.38 63.97 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.649 -0.421 . . . . 25.0 111.832 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.43 145.02 26.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.218 0.532 . . . . 25.0 110.811 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.83 138.78 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.7 tt -81.48 107.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.141 0.972 . . . . 25.0 111.643 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.03 140.74 58.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.261 -0.881 . . . . 25.0 113.177 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -78.28 -16.75 79.14 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.637 -0.711 . . . . 25.0 113.341 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -77.25 -12.18 59.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 25.0 111.469 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 4.97 89.46 Favored Glycine 0 C--O 1.237 0.298 0 C-N-CA 120.98 -0.629 . . . . 25.0 112.359 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -121.09 154.6 35.92 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.7 m -132.2 148.94 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.279 0.362 . . . . 25.0 110.091 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -76.35 104.68 6.98 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 122.296 1.046 . . . . 25.0 110.82 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.37 -28.78 64.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 -171.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.52 -40.96 96.6 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.571 -0.852 . . . . 25.0 111.983 -176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -74.24 -33.04 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -37.55 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.563 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.32 -42.07 94.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.56 -40.0 92.34 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.983 -0.287 . . . . 25.0 110.261 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 46.4 ttp -63.91 -39.8 95.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.124 0.488 . . . . 25.0 110.699 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.3 tpp -66.4 -16.62 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.8 p -111.74 24.42 12.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.802 0.334 . . . . 25.0 111.239 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.22 -165.56 0.59 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.023 0.44 . . . . 25.0 110.769 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.3 pttt . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.034 -1.936 . . . . 25.0 107.671 -179.227 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.71 172.26 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -68.33 -12.61 61.36 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.751 1.019 . . . . 25.0 113.751 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.4 tp -144.4 137.49 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.721 -1.955 . . . . 25.0 105.721 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.3 p -111.18 158.66 18.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.029 0.442 . . . . 25.0 109.916 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.28 -21.6 66.28 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.927 0.394 . . . . 25.0 110.367 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.25 -42.79 99.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -72.08 -34.88 69.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.415 0.626 . . . . 25.0 109.836 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.39 -35.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.133 -0.355 . . . . 25.0 110.723 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.02 -42.5 99.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.64 -35.72 79.43 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.23 -0.294 . . . . 25.0 110.565 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 3.4 tmtt? -63.77 -43.67 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.46 -38.38 81.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.052 -0.659 . . . . 25.0 110.463 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.11 86.13 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.982 0.42 . . . . 25.0 110.371 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -68.33 -45.39 73.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 14.8 t -65.98 -21.62 66.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -25.86 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 25.0 110.704 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -112.33 -14.69 13.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.242 -0.436 . . . . 25.0 112.044 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -81.56 77.25 8.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -69.35 -16.98 63.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.073 -1.422 . . . . 25.0 112.556 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -97.11 -27.87 14.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.331 0.586 . . . . 25.0 111.2 -172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 17.14 64.06 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.36 -0.836 . . . . 25.0 113.574 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.38 0.36 57.44 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.373 0.606 . . . . 25.0 111.423 -177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 25.52 52.61 Favored Glycine 0 C--O 1.234 0.14 0 CA-C-O 119.732 -0.482 . . . . 25.0 113.563 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.0 p -133.91 158.68 42.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.345 0.573 . . . . 25.0 112.386 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 pt -138.91 167.04 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.335 -1.728 . . . . 25.0 106.335 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.4 p -86.59 160.81 18.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -60.3 -31.1 69.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.593 0.711 . . . . 25.0 110.724 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.4 -33.28 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.189 -0.459 . . . . 25.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -11.48 59.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.59 -40.38 75.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.58 95.61 Favored Glycine 0 C--O 1.225 -0.416 0 C-N-CA 120.728 -0.749 . . . . 25.0 111.441 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -38.18 83.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.16 -0.612 . . . . 25.0 112.212 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.59 -47.03 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -63.01 -41.39 99.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 25.0 109.907 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.2 -23.88 67.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.948 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -66.0 -23.06 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.342 -0.224 . . . . 25.0 111.017 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -105.53 13.31 30.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 25.0 109.804 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 -4.16 86.11 Favored Glycine 0 CA--C 1.516 0.132 0 N-CA-C 114.988 0.755 . . . . 25.0 114.988 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.91 123.04 30.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.28 92.1 16.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 121.272 0.558 . . . . 25.0 109.737 -177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.35 169.36 20.2 Favored 'Trans proline' 0 C--O 1.237 0.427 0 N-CA-C 109.64 -0.946 . . . . 25.0 109.64 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -67.43 156.07 37.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.279 -1.378 . . . . 25.0 107.279 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.7 -25.33 67.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.933 -0.48 . . . . 25.0 110.37 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.89 -47.34 72.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.81 -39.28 93.33 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.6 tp -60.67 -44.22 96.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.573 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.53 -42.88 77.84 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 121.111 -0.236 . . . . 25.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 25.0 111.352 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.4 mtm -66.4 -30.98 71.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.024 -0.422 . . . . 25.0 111.281 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.73 -37.02 54.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.17 -34.49 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.724 -0.61 . . . . 25.0 109.829 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -70.51 -6.02 33.1 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -122.69 -43.06 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.937 0.399 . . . . 25.0 111.681 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.27 55.85 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.465 0.65 . . . . 25.0 112.203 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.05 -30.96 72.0 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.125 0.488 . . . . 25.0 109.81 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -91.92 -15.72 27.65 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.806 0.812 . . . . 25.0 110.917 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.53 37.08 41.76 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.541 -0.754 . . . . 25.0 113.207 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -64.18 -29.08 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.06 2.72 90.6 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.571 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -134.0 153.84 51.52 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.8 mt -133.95 126.66 50.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 105.283 -2.117 . . . . 25.0 105.283 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.72 171.55 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.072 0.939 . . . . 25.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -66.91 -43.94 49.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -64.9 -26.24 59.39 Favored 'Trans proline' 0 C--N 1.357 1.021 1 C-N-CA 112.441 -4.573 . . . . 25.0 113.443 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -71.4 -42.02 68.89 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.05 -43.78 74.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.379 0.609 . . . . 25.0 109.637 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.2 -39.65 86.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 25.0 110.69 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -64.29 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.748 -0.205 . . . . 25.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 81.2 mtp -59.74 -43.13 94.38 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.969 -0.457 . . . . 25.0 109.861 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.79 -42.29 77.55 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.611 -0.436 . . . . 25.0 110.396 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.3 74.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 25.0 111.031 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -71.75 -41.8 68.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.506 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -70.05 -23.35 63.08 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.05 10.65 2.21 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.336 0.865 . . . . 25.0 113.336 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -109.46 124.19 50.64 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.38 154.32 42.21 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.794 0.683 . . . . 25.0 109.171 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 p -123.1 115.74 22.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.576 0.703 . . . . 25.0 111.636 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.54 -36.26 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.048 -0.978 . . . . 25.0 111.956 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 76.9 p -60.37 -38.04 82.62 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.043 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -83.28 -31.63 26.82 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -69.57 -33.04 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.03 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.82 -37.54 82.36 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.154 0.502 . . . . 25.0 109.783 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.59 -39.88 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.957 -0.756 . . . . 25.0 108.957 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.77 -34.36 78.0 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 122.114 -0.366 . . . . 25.0 110.754 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.05 -35.25 73.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.655 0.264 . . . . 25.0 111.208 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.36 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.962 0.411 . . . . 25.0 111.221 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -86.55 -25.12 25.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.755 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -65.71 -15.9 63.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.5 0.555 . . . . 25.0 112.5 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.7 t -65.3 -20.48 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -108.17 3.36 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.808 0.337 . . . . 25.0 111.762 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -78.82 146.18 33.86 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -85.38 -49.98 7.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.011 0.745 . . . . 25.0 113.011 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -133.66 9.01 3.91 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.75 25.78 10.39 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.579 -1.008 . . . . 25.0 110.579 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -78.79 -8.41 58.74 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -0.72 83.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 117.406 1.722 . . . . 25.0 117.406 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.04 146.07 40.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.984 0.892 . . . . 25.0 112.003 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.99 158.17 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.9 t -59.42 140.84 55.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.36 -28.29 69.66 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.442 0.639 . . . . 25.0 110.266 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.22 77.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -33.45 73.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.618 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 tp -58.63 -38.66 78.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 25.0 110.69 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -61.48 -33.32 73.57 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.876 -0.515 . . . . 25.0 110.571 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -68.42 -39.66 81.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.7 t -67.18 -44.32 87.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -23.67 67.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.7 t -94.92 0.72 54.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.083 0.401 . . . . 25.0 112.083 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -62.43 -14.75 44.18 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.229 1.196 . . . . 25.0 114.229 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.6 mt -84.09 -14.78 49.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.03 0.443 . . . . 25.0 110.688 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.48 169.24 11.84 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 108.158 -1.977 . . . . 25.0 108.158 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.2 128.14 34.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -75.08 140.19 43.31 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.889 -0.412 . . . . 25.0 109.889 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -65.6 -43.82 88.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.525 -0.307 . . . . 25.0 111.53 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 55.0 p -119.01 140.65 49.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.24 -30.9 70.92 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 174.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -54.24 -35.77 62.84 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.887 -1.051 . . . . 25.0 112.838 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.2 -33.77 76.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.216 0.531 . . . . 25.0 110.557 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.35 -41.67 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.56 -32.9 74.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.651 -0.704 . . . . 25.0 112.643 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -33.77 73.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.064 0.393 . . . . 25.0 110.736 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 69.8 mtm -75.18 -29.53 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.477 -0.764 . . . . 25.0 110.982 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.52 -29.09 18.22 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -58.38 -32.43 68.59 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.295 0.638 . . . . 25.0 112.29 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -78.52 -42.24 30.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.853 0.359 . . . . 25.0 110.124 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.27 62.98 5.58 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.09 8.03 2.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.7 96.69 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 122.152 0.977 . . . . 25.0 113.303 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.52 5.07 49.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -36.27 -54.28 1.27 Allowed Glycine 0 N--CA 1.466 0.691 0 N-CA-C 117.997 1.959 . . . . 25.0 117.997 -174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -126.0 17.35 7.89 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.647 -0.871 . . . . 25.0 108.647 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.26 10.96 85.8 Favored Glycine 0 C--O 1.244 0.733 0 CA-C-N 115.101 -0.954 . . . . 25.0 114.383 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.09 153.83 33.09 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 117.486 0.643 . . . . 25.0 112.693 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.23 148.41 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -78.57 110.23 13.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.042 0.925 . . . . 25.0 111.514 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -69.12 -20.68 64.05 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.582 -0.736 . . . . 25.0 112.422 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.941 -0.475 . . . . 25.0 111.097 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.24 -35.39 76.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.18 -35.08 77.47 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.667 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.56 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -64.32 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 25.0 111.103 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.34 -39.12 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.504 . . . . 25.0 111.932 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 59.7 mtt -82.6 -6.99 59.66 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.1 t -109.87 11.15 24.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.13 -169.23 0.9 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.817 0.817 . . . . 25.0 112.897 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt . . . . . 0 C--O 1.247 0.961 0 CA-C-O 116.679 -1.629 . . . . 25.0 109.504 -174.506 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.54 153.68 43.12 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.84 161.5 42.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.077 -1.082 . . . . 25.0 108.077 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 mp -97.95 141.22 31.18 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 103.68 -2.711 . . . . 25.0 103.68 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.6 p -129.51 167.15 18.31 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -63.42 -20.43 65.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.89 0.376 . . . . 25.0 110.395 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.82 -39.59 91.0 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -73.41 -34.24 65.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.82 -36.31 76.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.52 86.99 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.317 -0.239 . . . . 25.0 111.524 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.78 -39.92 84.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.579 0.704 . . . . 25.0 110.933 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -65.56 -36.73 84.65 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.486 -0.759 . . . . 25.0 109.532 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -75.59 -36.98 60.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.11 -41.05 86.86 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.797 -0.564 . . . . 25.0 109.927 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.08 85.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 25.0 110.361 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -65.68 -50.34 65.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 25.0 109.986 177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 t -66.13 -19.73 65.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.949 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -61.43 -35.05 76.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.583 0.706 . . . . 25.0 111.297 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -102.79 -9.6 19.83 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.315 -0.857 . . . . 25.0 112.671 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -82.01 85.77 6.67 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.483 -1.303 . . . . 25.0 107.483 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -68.73 -30.24 68.83 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 114.504 1.298 . . . . 25.0 114.504 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -93.3 -25.02 17.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.563 0.697 . . . . 25.0 112.272 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.72 14.83 59.08 Favored Glycine 0 CA--C 1.51 -0.275 0 CA-C-N 115.354 -0.839 . . . . 25.0 113.028 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -73.71 -11.31 60.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.188 0.518 . . . . 25.0 112.373 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.72 21.99 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -135.46 157.21 47.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.661 0.743 . . . . 25.0 112.538 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 pt -134.21 173.19 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 103.354 -2.832 . . . . 25.0 103.354 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.4 p -99.21 161.5 13.59 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.786 -1.191 . . . . 25.0 107.786 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -54.84 -44.02 73.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.079 0.466 . . . . 25.0 111.944 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -65.54 -28.87 69.47 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -81.12 -16.38 53.19 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.728 0.299 . . . . 25.0 111.133 -175.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.57 -37.46 78.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.445 0.64 . . . . 25.0 109.974 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.91 -27.78 70.84 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.544 -0.836 . . . . 25.0 112.064 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -35.75 31.64 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.498 -1.001 . . . . 25.0 111.635 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.4 -46.17 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.21 -38.56 83.7 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-O 120.973 0.416 . . . . 25.0 111.043 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.89 -35.09 77.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.798 -0.564 . . . . 25.0 111.051 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 t -67.5 -27.27 66.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.359 -0.213 . . . . 25.0 110.958 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.33 -0.11 9.35 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.47 -1.47 72.54 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 117.995 1.958 . . . . 25.0 117.995 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -142.75 138.77 30.72 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 118.609 1.204 . . . . 25.0 111.002 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -85.39 128.43 59.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.45 173.94 13.07 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 118.166 -0.756 . . . . 25.0 111.602 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.91 138.38 42.34 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 104.59 -2.374 . . . . 25.0 104.59 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.82 -25.58 64.75 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 113.986 1.106 . . . . 25.0 113.986 -175.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.24 -64.4 0.87 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.925 0.393 . . . . 25.0 111.808 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.2 -28.6 69.79 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.379 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -36.7 84.9 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.98 -42.2 73.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.1 -33.73 76.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.502 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.7 mtt -59.57 -29.34 67.87 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -75.76 -32.36 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 122.184 -0.322 . . . . 25.0 110.874 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.18 -37.29 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 121.147 0.499 . . . . 25.0 111.171 -176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -59.83 -27.78 66.92 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -98.58 -29.71 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.497 0.665 . . . . 25.0 110.294 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.2 -21.54 59.63 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.87 -0.519 . . . . 25.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.13 69.85 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.49 -27.11 61.21 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 122.351 1.072 . . . . 25.0 110.48 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.56 88.92 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.918 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -70.6 -26.32 63.45 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.539 0.94 . . . . 25.0 113.539 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.01 12.11 83.55 Favored Glycine 0 CA--C 1.52 0.377 0 O-C-N 121.74 -0.6 . . . . 25.0 112.136 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -133.99 168.85 18.03 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -128.18 113.69 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.3 167.91 19.01 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.812 0.815 . . . . 25.0 109.608 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -60.29 -45.14 97.6 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 114.776 1.399 . . . . 25.0 114.776 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.79 -33.29 76.68 Favored 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 112.888 -4.275 . . . . 25.0 114.835 177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -69.96 -34.45 73.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.718 0.77 . . . . 25.0 109.778 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.84 -38.74 92.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.692 -0.685 . . . . 25.0 109.357 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.52 -32.76 71.79 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.841 -0.537 . . . . 25.0 110.875 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.0 m -61.05 -34.72 75.32 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.7 mtt -60.97 -26.5 67.6 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.44 -0.787 . . . . 25.0 111.215 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -87.54 -7.63 57.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.747 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.77 68.47 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.064 0.146 . . . . 25.0 111.364 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -55.37 -34.18 64.08 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.714 0.292 . . . . 25.0 111.345 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -72.21 -24.38 61.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.351 0.5 . . . . 25.0 112.351 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.0 ttm -96.36 -4.84 41.22 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.943 -0.571 . . . . 25.0 109.847 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.4 tttt 68.31 114.23 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.081 1.752 . . . . 25.0 113.028 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -92.26 154.02 18.89 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.194 -1.78 . . . . 25.0 106.194 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -86.5 -31.37 21.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -80.99 -42.61 20.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.536 . . . . 25.0 109.554 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.4 t -61.96 -33.12 73.7 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.855 0.836 . . . . 25.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.01 -45.06 96.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.752 -0.832 . . . . 25.0 108.752 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -73.54 -28.13 61.71 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.8 -47.44 86.31 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 118.772 0.715 . . . . 25.0 109.984 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.7 -39.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.227 1.013 . . . . 25.0 109.187 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -63.85 -26.64 68.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.33 -0.85 . . . . 25.0 112.164 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.52 -39.15 67.34 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.122 0.415 . . . . 25.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.16 -27.86 68.71 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.14 0.495 . . . . 25.0 112.195 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -91.04 -19.65 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.336 . . . . 25.0 111.672 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -62.66 -33.66 75.49 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.216 0.531 . . . . 25.0 111.527 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.47 -16.68 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 116.144 -0.48 . . . . 25.0 112.116 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -98.24 -10.58 23.79 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.722 0.296 . . . . 25.0 110.933 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -81.1 115.73 20.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.347 -0.983 . . . . 25.0 108.347 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.39 -42.15 79.48 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 115.366 1.617 . . . . 25.0 115.366 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -129.32 4.08 5.17 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.14 36.24 11.33 Favored Glycine 0 C--O 1.227 -0.324 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -87.91 -18.59 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.732 1.382 . . . . 25.0 114.732 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.1 -0.99 87.73 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 112.161 -0.376 . . . . 25.0 112.161 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -120.06 141.26 49.92 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.742 0.817 . . . . 25.0 109.972 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -138.87 165.29 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 104.777 -2.305 . . . . 25.0 104.777 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.2 t -71.5 152.45 43.01 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 25.0 108.615 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.17 66.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.5 97.74 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.311 -0.404 . . . . 25.0 111.516 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -71.39 -36.12 71.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.176 0.513 . . . . 25.0 109.764 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.14 -45.94 89.55 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -60.03 -40.56 89.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.674 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.476 ' CE1' HD21 ' A' ' 111' ' ' ASN . 32.4 t60 -57.42 -52.01 67.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 119.369 -0.348 . . . . 25.0 110.544 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.2 -43.48 93.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 120.533 -0.467 . . . . 25.0 110.201 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 29.7 mtt -60.95 -39.18 88.54 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.162 -0.336 . . . . 25.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -67.05 -35.15 79.23 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.476 HD21 ' CE1' ' A' ' 107' ' ' HIS . 85.1 m-20 -69.87 -24.33 63.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.819 0.342 . . . . 25.0 111.829 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.5 -14.85 22.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 25.0 112.136 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.47 144.4 25.58 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 120.913 -0.661 . . . . 25.0 111.635 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -130.92 -32.04 1.67 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.09 0.404 . . . . 25.0 112.09 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -129.16 176.7 7.7 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -174.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -162.62 0.22 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.146 1.378 . . . . 25.0 110.972 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 t -101.59 152.56 20.66 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.805 0.442 . . . . 25.0 110.687 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.75 -23.35 67.15 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.287 0.565 . . . . 25.0 111.538 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -68.44 -24.45 64.73 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.752 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -69.64 -35.45 75.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.8 -39.74 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -66.04 -32.33 73.74 Favored 'General case' 0 C--O 1.207 -1.159 0 N-CA-C 112.481 0.548 . . . . 25.0 112.481 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -66.5 -34.71 78.53 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 121.946 -0.471 . . . . 25.0 110.073 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 75.8 mtm -66.42 -34.76 78.67 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 120.963 -1.086 . . . . 25.0 109.764 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 63.4 mt -75.22 -32.1 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -68.49 -37.87 80.49 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.997 0.519 . . . . 25.0 111.873 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.23 -21.99 61.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.607 0.718 . . . . 25.0 111.483 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.98 138.71 32.98 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.698 -0.683 . . . . 25.0 112.387 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.94 134.4 52.9 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 174.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.5 mt -119.47 128.16 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 105.276 -2.12 . . . . 25.0 105.276 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -71.16 161.83 30.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.82 -23.4 61.14 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 114.614 0.605 . . . . 25.0 114.614 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -83.55 6.31 20.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.272 0.558 . . . . 25.0 111.764 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 31.69 58.8 Favored Glycine 0 C--O 1.24 0.495 0 C-N-CA 121.489 -0.386 . . . . 25.0 112.224 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -120.15 156.92 30.11 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -136.77 156.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -94.01 106.62 18.59 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -71.33 -21.05 62.1 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.947 -0.471 . . . . 25.0 111.748 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.53 -37.99 76.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.98 -26.84 22.44 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.44 0.638 . . . . 25.0 110.031 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -39.48 94.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.557 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.07 -43.53 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -40.4 95.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.098 0.475 . . . . 25.0 110.326 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.3 tpp -57.83 -30.64 65.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 58.7 mtt -70.76 -11.55 61.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.3 t -135.23 10.33 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -84.9 158.78 20.48 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 114.204 1.187 . . . . 25.0 114.204 -177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.229 1.412 . . . . 25.0 112.996 174.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.11 -33.09 73.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 122.52 1.153 . . . . 25.0 107.935 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -108.11 139.44 42.76 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 103.488 -2.782 . . . . 25.0 103.488 171.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -65.28 144.65 57.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -116.39 158.79 22.94 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.975 -1.12 . . . . 25.0 107.975 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.86 -27.18 68.98 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -62.1 -42.79 99.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.604 -0.271 . . . . 25.0 111.683 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.2 -22.12 49.05 Favored 'General case' 0 C--O 1.22 -0.488 0 C-N-CA 119.654 -0.818 . . . . 25.0 110.032 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.1 mt -71.13 -38.48 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.4 87.8 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -60.39 -43.15 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.437 0.637 . . . . 25.0 109.707 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.92 -38.74 89.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -63.81 -40.73 97.34 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.747 -0.595 . . . . 25.0 111.089 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.78 -35.0 79.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 25.0 110.466 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -70.21 -46.55 64.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.653 0.739 . . . . 25.0 109.622 177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 t -68.84 -19.65 64.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.791 0.663 . . . . 25.0 112.791 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -25.38 67.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.371 . . . . 25.0 111.201 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -112.96 -8.11 13.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.994 -0.548 . . . . 25.0 111.732 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.44 80.3 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.814 1.292 . . . . 25.0 107.874 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -71.18 -16.54 62.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.172 -1.376 . . . . 25.0 112.683 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.92 -28.19 13.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.406 0.622 . . . . 25.0 111.695 -171.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.91 15.1 59.89 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-N 115.252 -0.885 . . . . 25.0 114.594 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.25 -12.28 59.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.64 21.47 50.79 Favored Glycine 0 C--O 1.243 0.677 0 N-CA-C 109.638 -1.385 . . . . 25.0 109.638 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -135.13 167.01 21.75 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.073 0.549 . . . . 25.0 109.706 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -135.46 164.52 32.74 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 104.88 -2.267 . . . . 25.0 104.88 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.4 p -79.45 158.38 27.31 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 p -55.92 -35.32 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 25.0 112.183 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.54 -25.56 61.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.967 0.728 . . . . 25.0 112.967 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.72 -9.95 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.089 0.471 . . . . 25.0 111.957 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -55.72 -38.74 70.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.412 0.625 . . . . 25.0 110.746 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.2 -26.41 74.15 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.752 -0.737 . . . . 25.0 112.998 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -40.1 19.66 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.256 -0.556 . . . . 25.0 111.211 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.59 -46.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.762 0.315 . . . . 25.0 110.761 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.6 mtt -64.72 -36.8 85.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.587 -0.696 . . . . 25.0 110.233 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -60.9 -35.63 77.17 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.7 t -68.98 -21.78 64.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -86.39 5.85 32.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.401 0.619 . . . . 25.0 109.852 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.84 -4.92 66.17 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 116.298 1.279 . . . . 25.0 116.298 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -145.02 123.17 12.15 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 118.841 1.32 . . . . 25.0 110.872 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -87.82 150.44 48.04 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.17 167.3 26.2 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 117.601 -1.133 . . . . 25.0 109.567 175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -72.35 160.8 31.76 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.731 -1.951 . . . . 25.0 105.731 174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -62.01 -32.62 73.12 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.17 76.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.411 0.148 . . . . 25.0 110.896 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.6 -41.68 96.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.11 -46.09 92.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.117 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.22 -42.65 93.23 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.933 -0.307 . . . . 25.0 111.142 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.85 -43.24 96.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.801 0.334 . . . . 25.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.3 mtm -65.43 -30.77 71.6 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.249 0.547 . . . . 25.0 111.73 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.0 mt -69.36 -39.52 78.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.69 -33.14 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.335 -0.228 . . . . 25.0 110.855 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -55.44 -38.99 69.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.076 0.398 . . . . 25.0 111.336 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG21 HG12 ' A' ' 63' ' ' ILE . 91.9 t -93.73 -37.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -65.67 -14.57 61.5 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.679 -0.638 . . . . 25.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.66 96.72 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.699 -0.228 . . . . 25.0 111.157 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -93.68 -24.27 17.93 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.026 -1.101 . . . . 25.0 108.026 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.2 22.18 38.97 Favored Glycine 0 N--CA 1.454 -0.159 0 N-CA-C 115.801 1.08 . . . . 25.0 115.801 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.5 -29.6 69.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.588 1.194 . . . . 25.0 111.697 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.12 26.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 114.827 0.691 . . . . 25.0 114.827 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.5 p -129.09 150.04 50.66 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.086 0.554 . . . . 25.0 109.951 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 55' ' ' VAL . 76.5 mt -120.17 124.52 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 105.595 -2.002 . . . . 25.0 105.595 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -82.05 170.97 14.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.331 1.062 . . . . 25.0 110.154 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -64.53 -45.87 77.04 Favored Pre-proline 0 CA--C 1.545 0.771 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.78 -23.42 48.28 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 112.85 -4.3 . . . . 25.0 114.123 177.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.93 -39.84 72.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.8 -43.23 80.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.29 -33.18 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.161 -0.337 . . . . 25.0 111.253 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.5 m -65.94 -38.3 88.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.133 -0.354 . . . . 25.0 110.988 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.5 mmt -74.64 -35.67 62.86 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.361 -0.837 . . . . 25.0 109.186 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -24.4 67.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -63.03 -36.14 82.58 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 119.168 -1.013 . . . . 25.0 109.993 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -70.96 -18.62 62.61 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 121.565 0.698 . . . . 25.0 110.715 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.5 mtt -86.5 -7.38 58.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 25.0 112.239 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -96.23 -19.81 19.04 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 25.0 112.772 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.36 151.26 44.28 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.33 104.98 6.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.82 0.819 . . . . 25.0 110.63 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -60.38 -34.11 73.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.46 -0.791 . . . . 25.0 110.915 -178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.8 t -59.08 -28.48 66.52 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -94.88 -40.85 9.5 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.722 -0.474 . . . . 25.0 109.722 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.92 -34.13 77.28 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.41 -43.0 88.44 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.845 0.748 . . . . 25.0 110.017 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.5 -41.57 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.741 0.781 . . . . 25.0 108.953 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.79 -44.65 92.72 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.452 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.11 -43.46 95.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.594 0.634 . . . . 25.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.39 -36.44 71.28 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.262 -0.426 . . . . 25.0 112.073 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -86.47 -38.67 17.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -70.04 -11.22 60.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.11 -18.33 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 174.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -107.13 9.26 30.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.931 0.492 . . . . 25.0 111.544 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -71.17 104.62 3.13 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.452 0.644 . . . . 25.0 110.141 -176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.36 -49.75 71.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 115.589 1.7 . . . . 25.0 115.589 -172.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -119.55 8.24 11.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.218 0.532 . . . . 25.0 110.584 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.06 20.42 79.69 Favored Glycine 0 C--O 1.236 0.227 0 N-CA-C 109.996 -1.242 . . . . 25.0 109.996 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -109.88 12.57 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.31 8.69 70.98 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 120.834 -0.698 . . . . 25.0 114.434 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -116.91 141.72 47.87 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 117.473 0.636 . . . . 25.0 111.515 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.5 pt -126.79 163.43 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t -74.35 148.8 40.97 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.92 -26.82 66.24 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.338 0.59 . . . . 25.0 110.575 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.36 74.14 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.952 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.86 -29.33 63.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.104 0.478 . . . . 25.0 111.613 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.26 -37.43 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.286 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.08 -26.31 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -68.97 -37.94 79.09 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 118.318 -1.353 . . . . 25.0 107.871 178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -59.81 -47.39 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -172.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.95 -40.54 95.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -82.4 -13.09 57.39 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.462 0.541 . . . . 25.0 112.462 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -93.04 -25.86 17.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.776 0.322 . . . . 25.0 111.28 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.93 -2.73 27.22 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -162.22 160.31 32.46 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 119.859 -1.162 . . . . 25.0 114.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.09 47.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.32 134.49 38.5 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 106.316 -1.735 . . . . 25.0 106.316 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.66 -19.41 13.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 117.387 2.365 . . . . 25.0 117.387 -172.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -122.56 141.94 51.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.623 0.647 . . . . 25.0 110.602 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -64.46 -36.81 85.4 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 115.953 -0.567 . . . . 25.0 111.605 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -61.17 -27.43 68.4 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.98 -33.1 59.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.674 0.75 . . . . 25.0 109.184 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.14 -35.3 13.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.407 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.23 -42.42 81.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.678 -0.692 . . . . 25.0 112.29 -178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -65.34 -28.69 69.47 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.6 ttm -73.08 -41.99 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.699 0.761 . . . . 25.0 109.763 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.55 -42.1 94.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.74 -26.61 35.2 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.495 1.295 . . . . 25.0 114.495 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.16 -26.16 61.09 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.92 15.35 2.67 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.788 2.514 . . . . 25.0 117.788 -175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.3 142.44 27.72 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.771 1.169 . . . . 25.0 112.839 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.5 mt -130.9 115.62 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.43 -1.29 45.16 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -48.71 -42.43 28.28 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 117.033 1.573 . . . . 25.0 117.033 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.09 9.63 7.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.759 0.79 . . . . 25.0 109.5 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.66 15.93 73.74 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.866 -0.683 . . . . 25.0 113.219 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -117.92 152.23 35.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.613 0.365 . . . . 25.0 110.27 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.9 143.84 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -87.21 114.64 23.99 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -70.39 -17.32 63.03 Favored 'General case' 0 C--O 1.214 -0.803 0 CA-C-N 116.154 -0.475 . . . . 25.0 111.193 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.29 -44.57 88.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.65 0.241 . . . . 25.0 111.65 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.16 -23.94 47.47 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.592 -0.693 . . . . 25.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -34.01 69.21 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.58 -0.526 . . . . 25.0 109.58 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.63 -40.19 85.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 174.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -59.43 -40.09 85.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.7 ttm -64.97 -43.98 90.87 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.057 0.456 . . . . 25.0 110.882 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 61.2 mtt -72.02 -12.5 61.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 28.8 p -107.2 15.76 24.78 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.117 0.484 . . . . 25.0 110.253 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.07 155.12 39.51 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.271 0.557 . . . . 25.0 109.761 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.751 -1.119 . . . . 25.0 110.494 -179.408 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.42 147.9 52.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 116.495 2.035 . . . . 25.0 116.495 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 49.19 61.14 3.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.36 2.356 . . . . 25.0 117.36 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tt -79.65 118.4 21.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -131.01 178.34 6.76 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.893 0.377 . . . . 25.0 110.541 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -65.07 -20.55 66.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.42 -40.97 96.79 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.068 -0.395 . . . . 25.0 110.485 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -69.76 -34.61 74.02 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.874 -0.516 . . . . 25.0 109.864 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.3 mt -65.57 -38.19 81.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.8 96.6 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.093 -0.336 . . . . 25.0 110.093 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -62.59 -40.85 98.2 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.957 0.408 . . . . 25.0 110.294 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -62.73 -34.13 76.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -74.78 -35.72 62.54 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.551 -0.46 . . . . 25.0 112.148 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.54 75.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.923 0.392 . . . . 25.0 111.36 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.72 -45.76 42.05 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.402 0.62 . . . . 25.0 110.148 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 11.7 t -68.5 -14.88 63.31 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.173 0.589 . . . . 25.0 112.092 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.08 -25.03 65.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.406 0.622 . . . . 25.0 109.577 175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CD2' HG22 ' A' ' 35' ' ' VAL . 97.5 m-85 -111.4 -26.2 9.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.02 -0.991 . . . . 25.0 113.088 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 43.0 t0 -78.41 85.97 4.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.661 0.743 . . . . 25.0 109.128 174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.04 -5.18 34.49 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.86 -25.69 16.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.221 0.534 . . . . 25.0 109.9 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.9 21.19 37.03 Favored Glycine 0 N--CA 1.453 -0.186 0 CA-C-N 115.879 -0.6 . . . . 25.0 114.36 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -91.35 -9.88 43.27 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.412 0.606 . . . . 25.0 112.314 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.5 10.5 79.56 Favored Glycine 0 C--O 1.241 0.573 0 C-N-CA 121.241 -0.504 . . . . 25.0 113.63 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -124.27 165.47 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 pt -137.58 165.52 26.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 104.22 -2.511 . . . . 25.0 104.22 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.2 p -83.98 160.36 21.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.0 p -58.77 -31.44 68.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.77 0.795 . . . . 25.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.58 -37.53 86.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.769 -0.65 . . . . 25.0 111.827 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -73.87 -8.69 57.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.59 -37.58 68.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 25.0 110.588 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.29 97.83 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 120.535 -0.841 . . . . 25.0 111.826 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -41.62 58.66 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.686 -0.303 . . . . 25.0 111.708 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' CD2' ' A' ' 19' ' ' PHE . 79.7 t -66.98 -44.62 88.38 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 N-CA-C 110.553 -0.166 . . . . 25.0 110.553 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.65 -35.33 77.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.041 -1.037 . . . . 25.0 109.345 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -67.63 -27.69 67.09 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.5 p -73.07 -15.87 61.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.794 0.725 . . . . 25.0 111.591 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.21 -7.16 50.24 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.229 0.538 . . . . 25.0 109.963 175.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.18 -5.02 78.18 Favored Glycine 0 C--O 1.229 -0.181 0 CA-C-N 116.313 -0.403 . . . . 25.0 113.233 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -139.3 123.13 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -94.98 144.94 28.65 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.52 172.22 16.62 Favored 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 117.496 -1.203 . . . . 25.0 109.741 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.05 146.63 54.13 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.518 -2.03 . . . . 25.0 105.518 174.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.32 -25.82 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.51 57.46 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.75 -27.82 65.26 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.776 -0.37 . . . . 25.0 111.34 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.3 -41.03 98.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.114 -0.698 . . . . 25.0 109.114 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -71.12 -38.96 72.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.77 -0.456 . . . . 25.0 109.77 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -58.29 -44.54 88.54 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 120.771 0.319 . . . . 25.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtt -63.21 -31.34 72.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.825 0.345 . . . . 25.0 111.891 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.25 -41.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.84 -35.86 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 110.239 -0.282 . . . . 25.0 110.239 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.94 -33.42 73.15 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 122.327 -0.233 . . . . 25.0 111.103 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -89.29 -31.66 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.059 0.457 . . . . 25.0 111.501 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.93 -10.09 8.66 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.069 -0.394 . . . . 25.0 111.451 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.64 73.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.407 0.283 . . . . 25.0 110.698 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.36 -26.88 24.59 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.96 0.886 . . . . 25.0 109.676 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.74 9.24 87.25 Favored Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.2 -0.909 . . . . 25.0 114.94 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.74 -28.26 67.49 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.55 7.43 87.15 Favored Glycine 0 C--O 1.243 0.672 0 C-N-CA 121.522 -0.37 . . . . 25.0 113.464 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.1 p -129.22 162.42 27.88 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.1 mt -132.55 121.29 44.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 102.922 -2.992 . . . . 25.0 102.922 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.03 177.95 5.91 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 105.406 -2.072 . . . . 25.0 105.406 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.83 -43.82 99.52 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 115.246 1.573 . . . . 25.0 115.246 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.62 -30.28 28.62 Favored 'Trans proline' 0 C--N 1.357 1.001 1 C-N-CA 113.146 -4.102 . . . . 25.0 115.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.42 -36.56 79.26 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.602 1.092 . . . . 25.0 108.77 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.88 -41.09 95.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.05 -35.4 71.92 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 122.259 -0.276 . . . . 25.0 111.674 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.3 m -59.33 -36.59 75.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.449 0.642 . . . . 25.0 109.944 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.82 -12.39 53.87 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mmt -77.88 -30.44 50.82 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.419 -0.801 . . . . 25.0 109.448 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -29.9 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.161 0.505 . . . . 25.0 110.265 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -60.38 -33.95 73.21 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -85.82 -8.19 58.25 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 112.806 0.669 . . . . 25.0 112.806 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.3 mmt -90.75 -3.92 57.07 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.516 0.675 . . . . 25.0 112.167 -177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -79.67 59.76 3.14 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.9 102.42 4.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 174.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.2 t -65.22 -19.02 65.78 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.287 1.588 . . . . 25.0 115.287 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.35 -38.57 14.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.739 -0.601 . . . . 25.0 112.185 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.0 -66.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.872 1.434 . . . . 25.0 114.872 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.56 -35.19 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -172.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.31 -25.73 63.45 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.483 -0.761 . . . . 25.0 112.496 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -65.76 -41.9 91.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -66.31 -39.49 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 107.497 -1.297 . . . . 25.0 107.497 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.13 -45.79 90.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.151 -0.932 . . . . 25.0 111.02 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.71 -44.03 91.54 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.642 0.656 . . . . 25.0 110.444 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.6 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 25.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -18.76 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.656 0.984 . . . . 25.0 113.656 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -69.86 -15.06 63.02 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.075 -1.016 . . . . 25.0 110.993 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -25.25 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.919 0.39 . . . . 25.0 109.976 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -105.53 6.2 32.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.3 129.69 40.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.94 -44.32 69.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.162 0.801 . . . . 25.0 113.162 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -128.82 -1.89 5.32 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.0 6.41 75.61 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 121.057 -0.592 . . . . 25.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.94 7.91 36.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.972 0.386 . . . . 25.0 111.772 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.12 25.0 46.17 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 120.918 -0.658 . . . . 25.0 114.687 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -128.42 143.99 51.07 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 117.235 0.517 . . . . 25.0 110.035 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.8 pt -138.46 163.12 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.729 -0.471 . . . . 25.0 109.729 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -79.12 150.58 31.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -25.94 65.96 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.268 0.556 . . . . 25.0 110.175 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.28 90.49 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.186 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -35.07 70.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.29 -40.82 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -59.7 -36.72 77.08 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.961 -0.295 . . . . 25.0 110.53 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -65.22 -44.39 88.43 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.691 -0.404 . . . . 25.0 110.678 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.36 -44.59 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.8 mmt -62.0 -41.69 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.563 0.949 . . . . 25.0 113.563 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -74.24 -14.93 60.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.434 -0.791 . . . . 25.0 110.915 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -88.97 -4.49 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.218 -0.301 . . . . 25.0 111.57 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.73 -28.43 68.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.048 0.451 . . . . 25.0 111.435 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.16 159.07 32.15 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.633 -0.987 . . . . 25.0 110.633 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.61 140.57 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.913 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 63.95 30.68 14.13 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.23 139.5 54.92 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.263 -1.755 . . . . 25.0 106.263 173.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -84.52 149.1 26.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.847 -0.741 . . . . 25.0 109.512 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.44 -39.6 91.43 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.44 -38.8 85.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.154 0.502 . . . . 25.0 111.46 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.8 -38.09 88.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 25.0 109.532 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.36 -42.1 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.019 -0.537 . . . . 25.0 109.74 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.39 -44.98 95.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.6 -21.21 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 114.015 1.117 . . . . 25.0 114.015 -175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 78.9 mtm -76.44 -40.11 51.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.402 0.62 . . . . 25.0 109.788 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.73 -35.0 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.95 -22.03 34.77 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.381 1.252 . . . . 25.0 114.381 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.97 -32.68 74.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 25.0 111.987 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.44 156.65 20.74 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.563 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.64 74.72 2.02 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.575 0.702 . . . . 25.0 111.546 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.9 mt -60.09 -41.92 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.822 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.92 -2.28 11.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.33 -59.9 4.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.07 -1.062 . . . . 25.0 112.565 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.03 -2.33 7.08 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.68 -2.36 79.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 108.478 -1.849 . . . . 25.0 108.478 -171.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -117.96 157.3 26.99 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.61 158.81 43.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 N-CA-C 106.919 -1.511 . . . . 25.0 106.919 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -79.1 152.31 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.443 -2.058 . . . . 25.0 105.443 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.19 -37.04 7.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 114.515 1.302 . . . . 25.0 114.515 -176.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.13 -34.86 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.99 -33.42 51.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -65.02 -43.84 91.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.527 -0.761 . . . . 25.0 111.986 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.3 -33.28 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.579 -0.701 . . . . 25.0 109.521 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -70.47 -38.17 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.32 -0.238 . . . . 25.0 110.692 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.69 -41.42 98.14 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.983 0.421 . . . . 25.0 110.739 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.9 mtm -72.8 -13.15 61.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.73 0.3 . . . . 25.0 111.316 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 39.5 p 58.05 28.53 16.44 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.651 1.18 . . . . 25.0 111.052 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.07 64.1 1.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 113.741 -1.572 . . . . 25.0 114.408 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.249 -0.881 . . . . 25.0 109.727 178.277 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 120.593 0.235 . . . . 25.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.79 166.28 17.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.761 0.315 . . . . 25.0 111.239 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -125.03 134.25 52.63 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.11 130.64 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.075 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.6 p -98.95 151.39 20.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.443 0.639 . . . . 25.0 110.681 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.03 -25.6 68.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.36 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.079 -0.388 . . . . 25.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -72.56 -38.45 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.09 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.48 98.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.711 -0.222 . . . . 25.0 111.379 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.46 -42.34 99.41 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.258 0.551 . . . . 25.0 110.653 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -65.93 -37.55 86.34 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.921 -0.487 . . . . 25.0 110.089 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.02 -40.69 82.89 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 119.348 -0.358 . . . . 25.0 110.597 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -62.56 -44.37 96.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.492 0.587 . . . . 25.0 111.308 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.59 82.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.123 0.487 . . . . 25.0 110.748 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -70.49 -45.05 66.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.224 0.535 . . . . 25.0 110.342 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -66.5 -22.91 66.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -24.67 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.05 0.452 . . . . 25.0 110.599 178.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -120.66 2.74 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.383 0.883 . . . . 25.0 113.383 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -81.0 76.91 7.95 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -79.04 -16.5 56.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.757 -1.111 . . . . 25.0 113.611 -172.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -94.32 -28.03 15.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.218 0.532 . . . . 25.0 110.7 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.5 7.24 61.98 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.996 -0.547 . . . . 25.0 113.318 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.9 -3.43 51.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.836 0.351 . . . . 25.0 111.94 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.15 53.81 Favored Glycine 0 C--O 1.242 0.619 0 N-CA-C 110.603 -0.999 . . . . 25.0 110.603 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.8 p -133.28 162.83 30.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.086 0.47 . . . . 25.0 110.315 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.2 pt -133.22 166.62 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 104.346 -2.465 . . . . 25.0 104.346 175.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.1 p -96.69 166.01 11.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.688 -1.227 . . . . 25.0 107.688 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.0 p -58.93 -25.77 63.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.59 0.709 . . . . 25.0 111.16 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -79.58 -34.2 41.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -77.44 -18.51 57.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.808 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.2 -39.91 70.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.16 0.505 . . . . 25.0 110.217 177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.87 -36.85 93.83 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.72 -0.752 . . . . 25.0 112.091 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -38.46 65.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.35 -0.5 . . . . 25.0 111.538 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.18 -49.33 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.122 -0.696 . . . . 25.0 109.122 178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -45.5 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.34 . . . . 25.0 110.366 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -62.12 -36.64 82.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 m -70.33 -30.68 67.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.686 0.279 . . . . 25.0 110.679 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.56 -3.58 44.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 111.03 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.4 -0.36 89.31 Favored Glycine 0 C--O 1.227 -0.339 0 C-N-CA 121.519 -0.372 . . . . 25.0 112.806 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -85.03 125.69 32.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -107.16 91.93 7.26 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.106 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.91 152.78 58.06 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 115.192 -2.739 . . . . 25.0 109.805 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.6 p -71.34 163.19 28.16 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.27 -36.84 78.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.868 0.366 . . . . 25.0 110.174 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.52 78.11 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.238 -0.437 . . . . 25.0 110.745 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.13 -43.58 98.52 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.04 -41.26 91.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.941 -0.762 . . . . 25.0 108.941 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -66.29 -50.35 63.98 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.314 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.79 -35.28 77.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.416 0.525 . . . . 25.0 112.416 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.6 mtp -63.71 -29.78 70.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.994 0.426 . . . . 25.0 110.203 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.1 mt -83.91 -32.9 8.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.099 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -57.95 -36.55 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.757 0.708 . . . . 25.0 110.114 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.5 -34.24 72.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.548 . . . . 25.0 111.159 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -86.3 -34.34 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.518 0.675 . . . . 25.0 110.547 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -64.69 -19.36 65.71 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.248 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.71 -34.46 77.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.499 -0.319 . . . . 25.0 111.239 176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.81 -26.95 16.01 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 122.03 0.919 . . . . 25.0 109.285 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.24 6.04 89.41 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.158 -0.928 . . . . 25.0 114.796 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -71.21 -28.91 64.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.686 0.743 . . . . 25.0 111.426 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.14 78.12 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.385 0.914 . . . . 25.0 115.385 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.2 p -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.504 0.652 . . . . 25.0 110.414 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.5 mt -134.13 121.29 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 106.793 -1.558 . . . . 25.0 106.793 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 166.61 20.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.208 0.528 . . . . 25.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -58.1 -45.93 99.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.15 -29.8 47.22 Favored 'Trans proline' 0 C--N 1.356 0.954 1 C-N-CA 112.879 -4.28 . . . . 25.0 114.428 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.05 -32.26 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.815 -0.553 . . . . 25.0 109.572 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -64.22 -43.61 94.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.7 m -63.35 -41.14 98.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.705 0.288 . . . . 25.0 110.541 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.9 tpp -61.88 -40.54 95.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.949 -0.469 . . . . 25.0 110.322 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.0 mtm -68.12 -37.17 80.82 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.343 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.98 70.13 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.75 -38.71 92.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.27 0.557 . . . . 25.0 109.752 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -93.0 5.17 52.41 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttp -52.81 -34.51 54.02 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 118.667 2.84 . . . . 25.0 118.667 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -102.71 150.19 23.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.899 0.772 . . . . 25.0 111.899 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -115.23 98.48 6.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 m -86.05 47.9 1.53 Allowed 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.92 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.52 -66.77 0.7 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.946 0.403 . . . . 25.0 110.641 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 76.9 p -94.99 -9.87 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.528 0.68 . . . . 25.0 111.998 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.39 -37.09 82.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.35 -31.44 71.7 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.959 -0.696 . . . . 25.0 112.418 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.91 -45.27 86.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.659 0.742 . . . . 25.0 110.638 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.03 -42.4 59.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.551 . . . . 25.0 109.936 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -69.04 -26.52 65.02 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.041 -0.664 . . . . 25.0 111.253 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.94 -45.83 93.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.967 -0.458 . . . . 25.0 111.28 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.85 -13.81 58.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.813 1.412 . . . . 25.0 114.813 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -61.84 -23.22 66.12 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.8 -15.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -105.3 -7.34 18.95 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.686 0.394 . . . . 25.0 111.896 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -67.86 129.17 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -66.14 -50.11 65.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -129.65 3.84 5.02 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.56 39.66 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.362 -0.695 . . . . 25.0 111.362 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -110.31 2.7 19.31 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -175.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.19 -0.45 89.37 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.74 -0.743 . . . . 25.0 112.719 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -109.94 133.21 53.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.099 0.476 . . . . 25.0 110.564 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -137.26 165.33 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -72.02 149.85 44.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.7 -29.34 68.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.293 0.568 . . . . 25.0 109.943 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.61 90.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.369 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.25 -35.49 71.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.353 0.596 . . . . 25.0 109.661 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -61.14 -44.78 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -68.37 -27.3 66.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 25.0 111.889 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -61.77 -47.53 84.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -43.34 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.27 -46.07 89.51 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 111.894 0.331 . . . . 25.0 111.894 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.9 m -65.61 -36.65 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.909 0.385 . . . . 25.0 110.739 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.17 -30.73 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mp -97.35 -4.68 38.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 25.0 111.656 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.92 94.45 0.1 Allowed Glycine 0 C--O 1.229 -0.214 0 C-N-CA 121.066 -0.588 . . . . 25.0 112.872 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.43 148.0 51.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.345 0.593 . . . . 25.0 110.341 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -131.91 151.45 51.7 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.16 -47.23 80.67 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.244 -0.182 . . . . 25.0 110.788 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.5 p -123.26 149.36 44.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.28 -29.54 69.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.643 0.735 . . . . 25.0 109.028 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -56.97 -36.41 70.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.543 -175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -73.17 -17.05 61.41 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.658 -0.651 . . . . 25.0 111.823 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.8 t -91.0 -35.74 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -59.8 -37.36 78.92 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.212 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.99 -29.63 67.37 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 tpp -74.5 -39.31 62.49 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.028 0.918 . . . . 25.0 110.179 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.15 -34.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.974 -1.012 . . . . 25.0 108.872 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -57.86 -30.58 65.92 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.143 1.164 . . . . 25.0 114.143 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.67 -29.25 64.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.298 0.57 . . . . 25.0 111.703 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.72 153.57 30.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.528 0.68 . . . . 25.0 111.721 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -80.06 142.85 34.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.78 161.95 40.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.19 157.85 33.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.363 0.601 . . . . 25.0 110.241 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.94 -16.17 56.75 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.678 1.031 . . . . 25.0 115.678 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -106.64 13.55 28.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.049 0.925 . . . . 25.0 111.479 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.59 34.58 19.05 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 115.603 1.001 . . . . 25.0 115.603 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.15 161.42 17.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.93 0.365 . . . . 25.0 110.687 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.09 154.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -89.47 100.03 12.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.114 -1.81 . . . . 25.0 106.114 175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -60.31 -25.57 65.87 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -61.76 -39.78 92.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.907 0.384 . . . . 25.0 111.837 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -78.16 -27.52 48.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.79 -33.39 68.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.782 -0.574 . . . . 25.0 109.674 177.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -43.26 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 107.578 -1.267 . . . . 25.0 107.578 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -61.87 -42.69 99.35 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.69 -45.26 94.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.361 . . . . 25.0 111.664 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 74.9 mtm -75.01 -25.31 58.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.4 m 56.6 40.25 29.44 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.69 137.94 58.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.321 -1.309 . . . . 25.0 112.295 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.252 1.195 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -179.514 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -80.88 -9.82 59.79 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.446 0.698 . . . . 25.0 112.024 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -70.16 159.75 33.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 25.0 112.106 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.11 157.62 33.17 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.428 -0.953 . . . . 25.0 108.428 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.9 p -66.2 153.54 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.518 0.675 . . . . 25.0 111.955 -176.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.16 -24.49 67.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.01 -44.83 94.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.284 0.564 . . . . 25.0 109.526 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.259 -0.428 . . . . 25.0 109.94 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.31 -39.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.6 98.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.244 -0.285 . . . . 25.0 111.029 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -62.59 -43.71 98.13 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.107 -0.371 . . . . 25.0 110.551 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.64 -36.9 85.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -64.41 -40.11 95.13 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.525 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.28 -45.73 91.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 118.696 0.68 . . . . 25.0 109.866 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.83 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.758 0.314 . . . . 25.0 111.646 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.07 -44.39 69.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.047 0.451 . . . . 25.0 110.662 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.8 t -64.19 -22.98 67.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.665 0.386 . . . . 25.0 111.981 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.11 -25.76 68.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.878 0.37 . . . . 25.0 110.53 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.43 -1.93 12.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.23 70.31 5.59 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 173.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -73.33 -26.25 60.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.388 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -79.13 -28.22 42.86 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.09 -3.23 69.74 Favored Glycine 0 N--CA 1.46 0.278 0 N-CA-C 116.576 1.39 . . . . 25.0 116.576 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -91.33 5.78 47.93 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 117.493 0.647 . . . . 25.0 110.958 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.54 28.04 40.83 Favored Glycine 0 CA--C 1.511 -0.195 0 C-N-CA 120.331 -0.938 . . . . 25.0 111.362 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -129.72 152.73 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 pt -131.66 175.36 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 174.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 15.7 p -102.27 160.65 14.35 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.699 -1.223 . . . . 25.0 107.699 176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 p -56.53 -37.4 70.42 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.52 -27.83 69.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.669 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -87.72 -8.98 55.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.81 -39.59 77.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.65 96.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 25.0 111.523 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -40.4 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.463 -0.433 . . . . 25.0 111.429 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.36 -45.27 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 95.5 mmm -60.12 -42.28 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.994 -0.441 . . . . 25.0 110.301 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -68.31 -22.16 64.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.186 0.439 . . . . 25.0 112.186 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -74.79 -21.33 59.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 mt -82.02 -0.02 42.42 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -4.79 85.69 Favored Glycine 0 C--O 1.229 -0.2 0 CA-C-N 116.225 -0.443 . . . . 25.0 114.114 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -103.73 134.18 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -87.96 130.61 45.87 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -72.35 152.48 55.22 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 114.929 -2.914 . . . . 25.0 109.959 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.7 144.06 31.42 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -61.67 -36.16 80.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.39 -54.22 26.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.067 0.46 . . . . 25.0 110.763 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -65.44 -34.13 77.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 25.0 111.583 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.554 -0.458 . . . . 25.0 109.802 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.4 -42.12 75.51 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.18 -46.17 83.06 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.396 0.617 . . . . 25.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.97 -32.74 74.38 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -77.88 -36.87 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 110.11 -0.33 . . . . 25.0 110.11 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.1 -36.44 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.66 -34.66 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.991 0.424 . . . . 25.0 111.451 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 -38.01 13.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.511 0.672 . . . . 25.0 110.581 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -68.02 -14.71 63.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.481 . . . . 25.0 110.46 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -35.62 81.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.417 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -92.1 -24.58 19.08 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.85 6.07 82.99 Favored Glycine 0 C--O 1.228 -0.235 0 N-CA-C 118.078 1.991 . . . . 25.0 118.078 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -69.2 -28.99 66.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.825 1.312 . . . . 25.0 112.227 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.31 13.9 68.23 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.083 -0.579 . . . . 25.0 114.172 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 36.1 p -124.74 158.23 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.3 mt -138.29 122.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.866 -1.901 . . . . 25.0 105.866 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.09 171.53 11.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.733 0.778 . . . . 25.0 109.015 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.59 -46.53 76.99 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -66.24 -24.81 50.55 Favored 'Trans proline' 0 C--N 1.357 0.981 1 C-N-CA 112.844 -4.304 . . . . 25.0 113.686 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.47 -39.13 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.62 -42.78 99.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.16 -40.22 95.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.929 -0.482 . . . . 25.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 m -65.09 -37.91 89.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.349 0.595 . . . . 25.0 110.322 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.4 ttm -62.83 -41.46 99.34 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.018 -0.364 . . . . 25.0 110.018 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.2 mmt -72.57 -32.59 66.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 25.0 110.902 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.01 -20.15 62.17 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -57.12 -38.02 72.83 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 122.369 -0.207 . . . . 25.0 110.94 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -92.96 1.54 57.25 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -94.48 -32.63 13.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.9 0.381 . . . . 25.0 112.005 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -59.46 -37.53 78.39 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.252 1.205 . . . . 25.0 114.252 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -135.47 153.0 51.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -130.94 145.25 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.317 -0.623 . . . . 25.0 109.317 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.99 -17.53 60.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.192 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.3 t -59.54 -27.7 66.44 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.454 1.279 . . . . 25.0 114.454 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -64.87 -35.5 81.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.493 -0.754 . . . . 25.0 110.572 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -80.26 -25.17 39.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.866 -0.521 . . . . 25.0 109.624 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -62.58 -40.34 96.57 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.314 -0.624 . . . . 25.0 109.314 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.01 -40.89 88.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -66.21 -32.54 74.03 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 120.834 -0.346 . . . . 25.0 111.34 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.68 -42.88 93.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.371 . . . . 25.0 110.458 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.48 83.78 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.347 0.594 . . . . 25.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -84.38 -10.18 57.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.53 -32.02 69.93 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.236 1.198 . . . . 25.0 114.236 -173.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.31 -16.75 15.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.34 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.06 -34.94 10.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -85.8 49.72 1.83 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 105.659 -1.978 . . . . 25.0 105.659 172.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.6 -43.14 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 113.553 -1.658 . . . . 25.0 113.623 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 6.97 47.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.189 -0.459 . . . . 25.0 112.035 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.74 34.65 89.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.404 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -16.16 24.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 -173.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.68 5.94 88.33 Favored Glycine 0 N--CA 1.46 0.298 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -135.97 137.75 41.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 103.883 -2.636 . . . . 25.0 103.883 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 pt -137.45 158.86 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -67.98 149.3 49.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.95 -30.09 67.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.193 0.521 . . . . 25.0 111.19 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.54 93.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.959 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.57 -39.05 81.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.921 0.391 . . . . 25.0 110.125 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -66.1 -40.11 90.5 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.096 -0.642 . . . . 25.0 109.425 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -62.31 -37.46 85.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -61.41 -45.26 95.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.426 -0.213 . . . . 25.0 110.426 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.7 -45.15 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 121.089 0.471 . . . . 25.0 109.769 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 39.9 mtt -63.49 -36.15 82.81 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.351 0.871 . . . . 25.0 113.351 -177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.4 t -87.02 -8.89 56.71 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.136 0.421 . . . . 25.0 112.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -69.67 -27.33 64.94 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.998 -0.742 . . . . 25.0 108.998 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.36 -12.28 59.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.059 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 170.94 12.43 Favored Glycine 0 N--CA 1.452 -0.295 0 N-CA-C 109.626 -1.39 . . . . 25.0 109.626 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.24 162.26 29.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -123.69 164.78 18.43 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -64.71 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 -174.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.0 p -119.07 157.31 28.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.662 0.267 . . . . 25.0 110.318 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -76.08 -30.08 58.18 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.625 -0.509 . . . . 25.0 109.625 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.39 -25.2 67.46 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -61.22 -35.76 78.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.954 0.883 . . . . 25.0 108.631 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.61 -47.61 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.638 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -56.9 -38.64 73.1 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -37.3 76.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.909 0.777 . . . . 25.0 111.235 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.4 mtm -72.6 -37.56 68.07 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.722 -0.611 . . . . 25.0 110.961 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.6 mm -70.46 -26.58 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -63.67 -18.25 63.77 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.256 1.206 . . . . 25.0 114.256 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.24 -31.34 68.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.723 0.773 . . . . 25.0 109.934 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.25 167.34 15.74 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.813 -1.085 . . . . 25.0 110.378 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -81.47 72.39 8.51 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.977 1.103 . . . . 25.0 113.977 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.78 -42.04 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -83.08 -8.39 59.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.8 -63.05 1.22 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 119.879 -1.153 . . . . 25.0 113.847 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -125.87 -10.24 6.64 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.509 0.671 . . . . 25.0 111.211 175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.58 24.53 65.0 Favored Glycine 0 C--O 1.243 0.712 0 C-N-CA 120.776 -0.725 . . . . 25.0 112.452 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.54 167.98 10.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.136 0.493 . . . . 25.0 111.181 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.73 144.97 35.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -84.19 94.96 8.51 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 107.107 -1.442 . . . . 25.0 107.107 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.31 -34.86 77.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.301 -0.863 . . . . 25.0 112.788 -174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.14 -37.97 70.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -88.91 -36.52 15.89 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.754 0.788 . . . . 25.0 110.151 176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.37 -33.26 70.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.4 0.518 . . . . 25.0 112.4 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.7 -39.05 78.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -81.09 -27.62 35.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.634 0.652 . . . . 25.0 110.44 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.0 ttp -68.31 -37.96 81.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.781 0.324 . . . . 25.0 110.879 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.1 mtt -63.08 -23.08 67.28 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.6 t -111.69 7.01 20.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.917 -0.129 . . . . 25.0 110.913 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.73 50.13 18.87 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.012 -0.994 . . . . 25.0 109.67 177.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.5 97.92 3.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 119.294 0.952 . . . . 25.0 109.43 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -105.07 19.91 19.78 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.738 -0.665 . . . . 25.0 110.842 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.8 118.96 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.02 0.438 . . . . 25.0 110.019 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -85.1 147.52 26.6 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -71.39 -21.25 62.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.3 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.49 -48.74 78.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.216 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -70.65 -30.55 67.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.081 -0.387 . . . . 25.0 110.701 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.37 -36.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.39 90.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.192 -0.318 . . . . 25.0 110.591 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.42 -42.25 96.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.175 0.512 . . . . 25.0 109.923 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -63.28 -39.02 93.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -70.02 -36.84 75.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -41.03 96.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.936 0.789 . . . . 25.0 109.447 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.66 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.176 0.513 . . . . 25.0 110.823 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -69.25 -45.89 68.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.421 0.629 . . . . 25.0 110.36 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -70.75 -20.71 62.6 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.245 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -22.62 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -120.48 -1.67 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -71.61 125.65 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.188 -2.523 . . . . 25.0 104.188 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -97.95 -16.78 19.55 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -174.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.7 -27.93 4.99 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -172.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.97 9.9 44.25 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 114.915 0.726 . . . . 25.0 114.915 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -75.62 -9.53 58.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.14 27.87 32.48 Favored Glycine 0 C--O 1.237 0.334 0 N-CA-C 110.869 -0.892 . . . . 25.0 110.869 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.3 p -133.8 159.26 41.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 pt -138.37 167.02 22.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.569 -2.012 . . . . 25.0 105.569 175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 81.4 p -89.89 162.85 15.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.1 p -59.16 -36.16 74.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.234 0.54 . . . . 25.0 111.866 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -68.48 -27.9 66.55 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.966 -0.458 . . . . 25.0 111.303 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.81 -17.42 59.03 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.206 -0.309 . . . . 25.0 110.726 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.15 -36.09 72.49 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.94 0.4 . . . . 25.0 110.534 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.29 -37.79 93.59 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.634 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -39.88 66.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.279 -0.542 . . . . 25.0 111.299 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.46 -47.81 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.2 tpt -60.71 -38.01 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.374 0.607 . . . . 25.0 110.094 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -65.79 -34.17 77.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.558 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -66.73 -32.23 73.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.969 0.35 . . . . 25.0 110.102 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.96 2.02 18.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.323 0.582 . . . . 25.0 110.428 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.11 -4.88 86.02 Favored Glycine 0 C--O 1.234 0.148 0 N-CA-C 115.24 0.856 . . . . 25.0 115.24 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.43 135.01 37.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.5 0.667 . . . . 25.0 110.431 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.62 91.96 48.6 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.37 164.32 35.48 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 118.412 -0.592 . . . . 25.0 111.268 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -73.67 162.28 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.286 -1.376 . . . . 25.0 107.286 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.84 -36.67 79.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.121 -0.362 . . . . 25.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -45.64 71.83 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.813 0.339 . . . . 25.0 110.722 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -66.26 -34.86 78.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.335 0.588 . . . . 25.0 110.374 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.87 -42.09 97.6 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -67.33 -40.87 85.95 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.442 -0.344 . . . . 25.0 111.15 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -60.87 -41.61 96.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.987 0.358 . . . . 25.0 110.962 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 76.6 mtm -65.79 -32.94 74.76 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.12 0.486 . . . . 25.0 110.882 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.65 -37.74 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.282 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.5 mt -58.13 -40.0 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.61 -9.15 59.27 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 52.8 t -110.37 -42.9 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -89.55 43.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.848 0.832 . . . . 25.0 110.8 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.51 -23.35 67.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.617 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -82.54 -17.21 45.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.396 0.617 . . . . 25.0 111.17 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.72 18.12 73.75 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 115.309 0.883 . . . . 25.0 115.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -73.33 -23.54 60.26 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 117.235 0.517 . . . . 25.0 111.654 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.71 22.87 59.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.811 -0.709 . . . . 25.0 111.413 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 40.7 p -129.57 155.72 45.34 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.677 0.391 . . . . 25.0 111.974 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -136.89 125.95 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.233 -1.766 . . . . 25.0 106.233 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.57 165.61 13.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.869 0.842 . . . . 25.0 109.815 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -61.12 -43.51 90.83 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 115.993 1.849 . . . . 25.0 115.993 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.54 -29.48 44.35 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 112.933 -4.245 . . . . 25.0 114.864 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.54 -36.61 68.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.798 0.808 . . . . 25.0 108.919 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -62.07 -41.62 98.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 25.0 109.54 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.15 -35.95 80.79 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 122.012 -0.43 . . . . 25.0 111.428 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -60.46 -37.9 82.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.8 tpp -58.85 -44.74 91.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 25.0 110.454 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.6 mmt -70.53 -38.34 74.22 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.549 0.69 . . . . 25.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.23 -26.42 64.85 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.267 0.84 . . . . 25.0 113.267 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -43.49 -59.77 2.02 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.274 1.212 . . . . 25.0 114.274 -176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -92.92 1.9 57.06 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.622 1.342 . . . . 25.0 114.622 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.6 mtp -88.08 4.11 46.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.163 0.982 . . . . 25.0 112.014 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -106.01 -1.51 23.85 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.892 -1.049 . . . . 25.0 112.971 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -138.37 173.01 12.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.365 0.603 . . . . 25.0 111.599 -175.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.69 77.15 1.67 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.035 -2.209 . . . . 25.0 105.035 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -50.42 -31.06 13.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.231 1.937 . . . . 25.0 116.231 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.5 t -59.39 -60.12 4.35 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -100.03 -60.82 1.46 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.46 -32.71 74.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 116.433 2.012 . . . . 25.0 116.433 -167.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.38 -45.64 92.25 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 119.702 -0.799 . . . . 25.0 109.124 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.0 mt -64.92 -38.74 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -63.17 -44.31 95.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.964 -1.017 . . . . 25.0 113.242 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.98 -28.71 20.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 115.32 1.6 . . . . 25.0 115.32 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.08 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -78.62 -15.52 58.43 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.572 -0.705 . . . . 25.0 112.869 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -70.49 -29.9 66.56 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.768 -0.583 . . . . 25.0 112.341 -175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.7 m -75.65 -9.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -109.52 6.64 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.853 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -76.23 100.24 5.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.9 0.857 . . . . 25.0 109.446 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -63.58 -30.07 71.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -119.15 -4.71 10.51 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.56 25.78 73.3 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.047 -1.221 . . . . 25.0 110.047 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -123.35 8.41 9.07 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.73 3.44 90.34 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 116.181 1.232 . . . . 25.0 116.181 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.72 134.74 54.85 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.441 1.121 . . . . 25.0 112.821 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.71 165.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 106.587 -1.634 . . . . 25.0 106.587 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 47.9 t -79.09 156.91 28.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.42 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.517 0.675 . . . . 25.0 110.812 177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.5 87.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.153 0.501 . . . . 25.0 110.507 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.78 -37.88 64.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.562 -0.903 . . . . 25.0 108.562 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.17 -47.63 81.83 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -37.02 76.08 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 121.004 -0.278 . . . . 25.0 110.457 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -60.32 -46.39 90.05 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.793 -0.363 . . . . 25.0 110.953 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.57 -44.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -41.07 86.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.259 0.466 . . . . 25.0 112.259 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.2 p -75.94 -8.28 56.56 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.04 -29.13 13.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 25.0 110.107 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.6 tp -94.61 -33.17 13.1 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.95 141.38 23.32 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.741 1.056 . . . . 25.0 115.741 -175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.33 -3.4 57.45 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.047 0.451 . . . . 25.0 111.898 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.34 119.78 10.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.542 -0.54 . . . . 25.0 109.542 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.04 -8.09 58.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.993 1.108 . . . . 25.0 113.993 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -118.98 136.04 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.325 -0.25 . . . . 25.0 110.325 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.55 -41.21 97.04 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -59.72 -36.1 75.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.652 0.982 . . . . 25.0 113.652 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -71.02 -22.35 62.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.717 -0.614 . . . . 25.0 111.424 178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -84.07 -44.39 18.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.666 -1.605 . . . . 25.0 106.666 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.7 -34.42 77.82 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.714 -1.13 . . . . 25.0 111.97 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -50.6 -49.34 56.73 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.122 0.487 . . . . 25.0 111.358 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.3 ttp -65.08 -41.18 95.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.601 0.715 . . . . 25.0 111.169 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.55 -39.62 78.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.133 -177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -62.76 -24.9 67.94 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -84.33 -32.29 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.64 -40.37 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.571 1.693 . . . . 25.0 115.571 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 105.34 11.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.087 0.946 . . . . 25.0 112.47 -173.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 pt -75.62 114.56 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.132 -0.94 . . . . 25.0 113.436 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.63 -18.06 50.99 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.699 -0.682 . . . . 25.0 112.025 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.9 85.02 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.216 -0.516 . . . . 25.0 112.858 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 -27.61 7.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.816 0.341 . . . . 25.0 110.919 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.19 -5.95 24.22 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 116.598 -0.274 . . . . 25.0 113.333 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 39.5 mt-30 -117.95 149.73 40.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.561 0.745 . . . . 25.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 m -137.05 150.53 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.339 0.59 . . . . 25.0 111.488 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.08 100.04 12.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.403 -1.702 . . . . 25.0 106.403 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -62.92 -15.53 55.79 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.565 0.58 . . . . 25.0 112.565 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.14 -34.98 77.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.977 -0.452 . . . . 25.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -73.56 -28.39 61.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -35.42 74.74 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.0 t -62.25 -43.55 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.32 -34.43 77.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 25.0 111.102 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.7 tpp -66.97 -33.47 75.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.878 0.371 . . . . 25.0 111.37 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.5 -16.89 60.83 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.163 -0.336 . . . . 25.0 110.866 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 59.5 p -108.03 24.88 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.403 0.62 . . . . 25.0 109.735 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.58 -178.56 1.83 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.629 0.728 . . . . 25.0 111.649 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.6 pttt . . . . . 0 C--O 1.247 0.96 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 -177.653 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.32 -43.3 92.68 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.73 1.011 . . . . 25.0 113.73 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 58.93 13.8 2.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.146 1.536 . . . . 25.0 115.146 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tt -69.46 128.83 37.92 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.2 p -135.58 153.25 51.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.935 0.398 . . . . 25.0 110.418 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.85 -20.07 63.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.365 0.602 . . . . 25.0 109.56 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.13 -31.72 71.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.747 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -66.83 -38.06 85.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.6 mt -66.72 -38.09 80.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.82 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 116.384 -0.371 . . . . 25.0 110.029 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.06 -41.52 96.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.385 0.612 . . . . 25.0 110.084 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -65.54 -34.71 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.87 -0.519 . . . . 25.0 110.623 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -66.14 -39.5 89.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.255 -0.43 . . . . 25.0 110.494 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -67.16 -39.17 86.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -31.84 73.17 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.939 0.399 . . . . 25.0 111.315 177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -71.59 -44.79 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -65.87 -14.34 61.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.64 -25.13 66.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.458 . . . . 25.0 111.407 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -110.54 -2.53 16.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -78.88 102.77 8.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.35 1.071 . . . . 25.0 109.145 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -69.8 -24.66 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.54 -1.209 . . . . 25.0 113.771 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.34 -27.07 9.24 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.974 1.101 . . . . 25.0 113.974 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.66 59.2 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.58 0.992 . . . . 25.0 115.58 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.68 -4.71 58.21 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 117.568 0.684 . . . . 25.0 112.18 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 27.96 12.14 Favored Glycine 0 C--O 1.237 0.285 0 N-CA-C 112.01 -0.436 . . . . 25.0 112.01 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 p -132.68 157.06 45.81 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 35' ' ' VAL . 36.4 pt -136.01 167.91 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 p -84.35 166.32 17.5 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -56.56 -38.81 72.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.388 0.613 . . . . 25.0 110.717 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -63.52 -37.11 86.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 25.0 111.755 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -12.85 61.96 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.76 -39.01 70.62 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.152 0.501 . . . . 25.0 110.844 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.77 95.07 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 120.611 -0.804 . . . . 25.0 111.995 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -39.96 70.11 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.65 -0.324 . . . . 25.0 111.831 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG21 HD13 ' A' ' 27' ' ' ILE . 56.2 t -64.84 -45.81 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 ttt -60.26 -39.05 85.42 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -67.23 -32.32 73.28 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -73.85 -23.17 59.58 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.709 0.686 . . . . 25.0 109.793 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.36 -7.51 55.14 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.84 -4.92 36.52 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 117.021 1.569 . . . . 25.0 117.021 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -144.97 123.77 12.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 118.978 1.389 . . . . 25.0 111.924 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -106.42 145.49 31.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 121.894 -0.504 . . . . 25.0 109.995 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -80.07 171.64 14.95 Favored 'Trans proline' 0 C--O 1.24 0.607 0 N-CA-C 110.236 -0.717 . . . . 25.0 110.236 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -70.86 149.3 46.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.078 -2.193 . . . . 25.0 105.078 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.76 -28.06 68.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.53 95.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.94 0.4 . . . . 25.0 110.625 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -77.34 -26.97 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.061 0.457 . . . . 25.0 110.012 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.07 -43.42 95.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -67.47 -37.29 82.69 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.82 -44.68 90.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.012 0.434 . . . . 25.0 111.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.9 mtm -68.49 -35.54 77.66 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.434 0.635 . . . . 25.0 111.185 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.6 mt -67.11 -34.24 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.156 -0.474 . . . . 25.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.61 -34.52 51.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.201 -0.312 . . . . 25.0 111.178 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -61.66 -39.16 90.38 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.753 0.706 . . . . 25.0 110.814 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -81.4 -37.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.456 0.646 . . . . 25.0 111.249 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -72.39 -18.42 61.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.097 -0.377 . . . . 25.0 110.49 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.42 79.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.71 -25.5 49.42 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.38 71.49 Favored Glycine 0 N--CA 1.453 -0.173 0 CA-C-N 114.617 -1.174 . . . . 25.0 111.426 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -68.91 -33.94 74.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.02 -9.89 3.58 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 116.568 1.387 . . . . 25.0 116.568 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -132.23 163.96 27.44 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.332 1.066 . . . . 25.0 110.926 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.4 mt -135.06 124.76 43.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.03 164.5 20.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.344 0.592 . . . . 25.0 109.752 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.28 -47.01 99.59 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.69 -33.81 85.2 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 114.213 -3.392 . . . . 25.0 114.571 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -72.7 -32.67 65.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.969 -0.457 . . . . 25.0 110.452 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.65 -43.14 99.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.18 -39.35 86.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.084 0.468 . . . . 25.0 110.183 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.4 m -60.9 -40.1 91.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.316 -0.402 . . . . 25.0 110.768 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtt -58.8 -35.01 72.14 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.2 mmt -63.48 -45.5 90.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.103 0.477 . . . . 25.0 109.758 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.02 -42.23 66.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -55.56 -40.18 71.61 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.162 0.585 . . . . 25.0 112.337 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -71.13 -24.37 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -49.16 4.19 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -174.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -163.61 170.6 16.93 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -73.16 91.57 1.65 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.589 -1.634 . . . . 25.0 106.589 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.6 t -62.63 -15.27 50.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -95.82 -31.74 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.604 2.076 . . . . 25.0 116.604 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -95.08 -66.81 0.89 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.26 -27.61 17.51 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.166 -0.959 . . . . 25.0 111.87 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -62.23 -19.22 62.96 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -36.21 74.95 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.649 0.659 . . . . 25.0 109.592 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.9 mt -84.34 -39.33 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.527 0.68 . . . . 25.0 109.309 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -71.72 -12.5 61.35 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 114.041 1.126 . . . . 25.0 114.041 -177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.57 -40.9 53.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.92 67.12 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -95.93 -32.04 12.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.022 0.439 . . . . 25.0 110.256 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.73 -35.81 79.14 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.115 0.566 . . . . 25.0 111.327 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.71 -18.52 24.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 120.772 0.32 . . . . 25.0 111.447 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CD1' HG22 ' A' ' 108' ' ' VAL . 81.7 m-85 -106.25 5.98 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.979 -0.451 . . . . 25.0 111.015 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -82.43 88.03 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.03 -44.6 4.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 116.747 2.129 . . . . 25.0 116.747 -174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.05 8.31 10.4 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.48 56.64 Favored Glycine 0 N--CA 1.463 0.463 0 C-N-CA 120.744 -0.741 . . . . 25.0 112.196 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -77.25 -28.83 53.71 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 115.167 1.543 . . . . 25.0 115.167 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.23 -9.09 76.49 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-O 122.225 0.903 . . . . 25.0 111.142 -173.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -138.9 143.67 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 pt -137.49 166.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 106.344 -1.725 . . . . 25.0 106.344 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 45.0 t -67.39 151.8 46.8 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.009 -0.676 . . . . 25.0 110.063 -178.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.423 0.63 . . . . 25.0 110.618 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.09 -35.05 73.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.383 0.611 . . . . 25.0 110.101 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.54 -44.07 83.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.17 -39.24 92.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.11 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -65.5 -29.37 70.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.789 -0.569 . . . . 25.0 110.428 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -69.3 -37.98 78.07 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.768 175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 92' ' ' PHE . 28.4 t -63.99 -38.96 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.2 tpp -56.95 -46.71 81.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 p -72.65 -18.6 61.55 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -73.66 -29.02 62.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -85.73 -32.44 21.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 25.0 111.634 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.83 -172.44 36.38 Favored Glycine 0 C--O 1.224 -0.493 0 C-N-CA 120.629 -0.796 . . . . 25.0 114.262 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -109.46 159.93 16.63 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -123.91 165.59 17.12 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.82 -49.05 76.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.1 t -123.65 149.3 45.59 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.387 -0.227 . . . . 25.0 110.387 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.06 -22.07 39.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.013 -0.366 . . . . 25.0 110.013 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -56.29 -36.8 69.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.993 0.425 . . . . 25.0 111.3 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -38.73 92.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.605 0.716 . . . . 25.0 110.492 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -73.39 -38.74 53.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -46.4 86.08 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.79 -36.87 76.07 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.927 -0.709 . . . . 25.0 111.264 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.1 ttp -67.38 -38.79 85.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.633 0.254 . . . . 25.0 111.029 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.43 -42.5 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.04 -37.51 77.17 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.18 -30.18 69.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.99 0.424 . . . . 25.0 111.219 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.99 1.12 56.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.82 1.415 . . . . 25.0 114.82 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.93 116.71 9.71 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 85.9 mt -123.27 -52.32 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -78.67 139.18 38.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.344 0.593 . . . . 25.0 111.697 -176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.06 -17.28 63.23 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.727 -0.669 . . . . 25.0 113.678 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.31 8.08 25.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.082 0.468 . . . . 25.0 110.514 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.67 39.06 14.92 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.922 -0.656 . . . . 25.0 113.25 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 38.5 mt-30 -117.94 151.39 37.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.357 0.598 . . . . 25.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.53 146.91 33.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 -178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -83.96 100.05 10.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -63.87 -21.13 66.31 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.929 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.68 -44.52 90.24 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.061 0.393 . . . . 25.0 112.061 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -87.83 -23.64 23.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.73 -43.23 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.89 -38.67 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.08 -34.68 76.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.997 -0.439 . . . . 25.0 110.725 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.5 tpp -62.49 -33.66 75.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.253 0.549 . . . . 25.0 110.983 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 50.6 mtt -71.91 -9.68 58.69 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.786 -0.571 . . . . 25.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t -128.51 35.58 4.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.06 159.08 6.06 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.52 -0.763 . . . . 25.0 110.665 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.423 -0.799 . . . . 25.0 110.25 -176.121 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -65.87 -24.92 66.97 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.877 0.846 . . . . 25.0 109.419 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -133.54 171.99 13.35 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 105.684 -1.969 . . . . 25.0 105.684 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -64.18 154.96 33.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.395 0.434 . . . . 25.0 111.466 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -130.8 164.22 25.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -68.3 -17.47 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.85 0.357 . . . . 25.0 110.947 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -59.37 -41.9 90.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -75.54 -30.17 59.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.265 -0.879 . . . . 25.0 111.066 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.9 mt -65.66 -34.69 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.302 -1.37 . . . . 25.0 107.302 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.37 87.39 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 122.15 -0.344 . . . . 25.0 110.367 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.21 -42.46 98.64 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -65.0 -40.36 94.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -62.3 -47.22 85.24 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -67.7 -35.48 78.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.109 -0.636 . . . . 25.0 110.59 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.45 -34.53 77.39 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.043 0.449 . . . . 25.0 110.368 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -70.14 -46.66 64.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.392 0.615 . . . . 25.0 109.781 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.1 t -68.7 -14.9 63.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.623 0.601 . . . . 25.0 112.623 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.06 -32.12 71.76 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -104.25 -26.24 12.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.777 -0.647 . . . . 25.0 112.322 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -78.21 89.67 4.29 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 174.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -98.05 -2.7 39.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.488 -175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.27 -27.9 12.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.11 0.481 . . . . 25.0 110.302 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.27 17.25 34.9 Favored Glycine 0 C--O 1.23 -0.129 0 CA-C-N 115.999 -0.546 . . . . 25.0 114.399 175.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -77.16 -13.86 59.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 16.57 68.4 Favored Glycine 0 C--O 1.239 0.431 0 C-N-CA 121.265 -0.493 . . . . 25.0 111.87 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 p -132.16 163.62 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.19 0.519 . . . . 25.0 111.779 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -135.65 170.25 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 103.669 -2.715 . . . . 25.0 103.669 173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -87.4 161.9 17.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 p -60.05 -29.27 68.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.783 0.802 . . . . 25.0 110.662 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -83.12 -19.77 36.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.476 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.34 -9.5 56.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.55 -42.09 77.94 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.91 -38.88 96.06 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.705 -0.679 . . . . 25.0 112.056 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -40.53 80.29 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.179 -0.6 . . . . 25.0 111.707 -179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.83 -45.91 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.0 ttm -60.91 -39.98 91.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.037 0.446 . . . . 25.0 111.076 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -71.39 -22.8 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.173 0.434 . . . . 25.0 112.173 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -74.56 -23.55 58.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.86 6.21 36.61 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.593 0.711 . . . . 25.0 109.097 175.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -4.98 83.44 Favored Glycine 0 N--CA 1.454 -0.117 0 N-CA-C 116.198 1.239 . . . . 25.0 116.198 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -93.49 123.09 36.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.569 1.185 . . . . 25.0 108.717 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.99 103.64 50.67 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.14 162.95 31.13 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 116.982 -1.545 . . . . 25.0 111.142 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 145.91 51.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 104.469 -2.419 . . . . 25.0 104.469 173.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.58 -22.06 66.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.17 -50.88 62.4 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.18 -40.0 94.57 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -61.47 -42.91 99.5 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.061 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -67.07 -43.23 83.15 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 120.959 -0.296 . . . . 25.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -59.33 -42.57 91.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.947 0.403 . . . . 25.0 110.149 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtt -65.91 -31.96 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.173 -0.33 . . . . 25.0 111.688 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.86 -40.65 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 mm -60.13 -40.9 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.279 0.49 . . . . 25.0 111.533 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -57.37 -35.8 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.243 0.46 . . . . 25.0 112.243 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.1 t -95.56 -32.25 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.156 0.503 . . . . 25.0 112.012 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.92 -13.84 62.67 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.463 -0.773 . . . . 25.0 108.969 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.41 78.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 122.475 0.31 . . . . 25.0 110.828 174.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.89 -25.25 61.0 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.712 1.244 . . . . 25.0 108.575 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.21 5.99 88.42 Favored Glycine 0 C--N 1.322 -0.244 0 CA-C-N 114.092 -1.413 . . . . 25.0 115.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -87.29 -28.82 22.06 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.01 0.905 . . . . 25.0 109.859 176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.04 25.61 69.6 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.41 0.924 . . . . 25.0 115.41 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.8 p -127.92 152.25 48.1 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.37 0.585 . . . . 25.0 110.593 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.2 mt -131.62 125.46 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 163.77 21.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.151 0.5 . . . . 25.0 110.36 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.68 -44.89 99.55 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 114.89 1.441 . . . . 25.0 114.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.34 -33.49 47.73 Favored 'Trans proline' 0 C--N 1.356 0.924 1 C-N-CA 112.104 -4.798 . . . . 25.0 114.264 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.61 -25.53 59.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.945 -0.472 . . . . 25.0 111.569 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -55.2 -40.74 71.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.04 -37.98 45.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.142 -0.481 . . . . 25.0 111.015 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 m -59.55 -42.33 92.14 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 25.0 111.075 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -60.81 -22.74 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.3 mmt -67.79 -20.61 65.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.808 -0.558 . . . . 25.0 111.295 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.91 92.83 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 110.102 -0.333 . . . . 25.0 110.102 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -65.63 -38.24 88.83 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -70.55 -5.55 29.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.03 1.122 . . . . 25.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.3 ttt -87.75 -27.71 22.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.31 111.05 4.53 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.169 -0.332 . . . . 25.0 111.156 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -94.7 159.89 14.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 25.0 110.267 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -160.97 133.56 6.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 103.153 -2.906 . . . . 25.0 103.153 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -86.02 -59.42 2.3 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.002 0.741 . . . . 25.0 113.002 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -98.29 -66.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 119.852 3.279 . . . . 25.0 119.852 -175.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.51 -55.33 34.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 119.322 3.082 . . . . 25.0 119.322 -162.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.77 -37.65 70.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -60.08 -54.8 41.65 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.787 0.662 . . . . 25.0 112.787 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.3 mm -63.55 -43.33 98.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.955 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -70.56 -33.05 70.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.255 -0.978 . . . . 25.0 112.606 -176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.89 -41.59 78.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.91 -36.26 69.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.03 0.443 . . . . 25.0 110.74 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -79.27 -21.21 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -69.51 -14.92 63.12 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.36 -18.89 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 119.685 -0.806 . . . . 25.0 109.612 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -98.08 -32.73 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -89.53 67.6 7.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.832 0.825 . . . . 25.0 109.345 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.14 70.26 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.218 -0.901 . . . . 25.0 113.426 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -95.09 -7.94 38.02 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.653 0.612 . . . . 25.0 112.653 -175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.65 26.52 67.24 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.893 -0.67 . . . . 25.0 113.858 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.04 -9.49 39.54 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.33 9.78 85.49 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.8 -0.714 . . . . 25.0 112.716 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -121.37 138.77 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.902 0.481 . . . . 25.0 110.434 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.2 pt -137.66 164.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.046 -1.835 . . . . 25.0 106.046 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.0 t -70.37 150.3 46.43 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.16 -31.96 69.46 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.54 -31.9 73.2 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.011 0.434 . . . . 25.0 111.373 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -78.06 -33.58 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.9 tp -65.4 -42.9 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.12 -39.71 83.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -61.38 -45.66 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 119.735 -0.174 . . . . 25.0 110.962 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.84 -46.34 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.49 -44.61 95.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.6 t -76.1 -8.78 57.78 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -91.07 -25.77 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.91 0.386 . . . . 25.0 110.025 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.22 -15.67 28.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.41 0.522 . . . . 25.0 112.41 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.11 162.35 14.19 Favored Glycine 0 C--O 1.222 -0.612 0 N-CA-C 111.835 -0.506 . . . . 25.0 111.835 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -120.82 145.84 47.18 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 tttt 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.53 145.04 56.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.9 p -93.95 157.93 15.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -62.45 -38.47 89.89 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.444 -0.502 . . . . 25.0 110.942 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.13 -35.2 79.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.096 0.474 . . . . 25.0 111.19 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.75 -37.93 85.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.136 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.4 -36.38 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.34 -45.32 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.404 0.621 . . . . 25.0 110.586 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.26 -38.23 76.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.302 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 tpt -68.99 -42.59 76.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.264 0.554 . . . . 25.0 111.078 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.8 mt -73.53 -40.29 55.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 -175.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -60.54 -21.07 62.12 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -176.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.9 -23.52 66.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.777 0.322 . . . . 25.0 111.814 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -127.63 16.97 6.96 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.32 135.93 46.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.0 mt -90.6 -24.12 5.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.843 -0.617 . . . . 25.0 109.795 -176.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.32 20.78 4.88 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.91 0.884 . . . . 25.0 113.229 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.89 -59.97 1.37 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 120.506 -0.854 . . . . 25.0 112.766 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -122.46 11.72 9.99 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.598 0.713 . . . . 25.0 109.656 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.38 19.67 77.74 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.02 154.61 31.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.024 0.53 . . . . 25.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.17 155.96 38.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.65 99.79 11.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -72.08 -24.92 61.58 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 113.704 1.002 . . . . 25.0 113.704 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -35.24 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.302 -0.559 . . . . 25.0 110.32 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -81.79 -26.78 34.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.999 0.428 . . . . 25.0 109.943 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -67.23 -38.14 84.74 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.08 -43.76 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -62.83 -39.36 94.07 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.966 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.02 -43.1 99.56 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.608 0.363 . . . . 25.0 111.127 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 77.8 mtm -78.07 -9.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.513 -0.312 . . . . 25.0 111.619 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 58.7 p 57.36 26.78 12.89 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.856 1.263 . . . . 25.0 109.906 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.63 141.8 44.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.481 -1.236 . . . . 25.0 107.949 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.646 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -72.64 159.88 33.15 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -112.1 16.59 20.12 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.235 0.541 . . . . 25.0 111.352 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -100.89 147.96 25.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -119.46 157.19 28.78 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -67.53 -22.85 65.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.805 0.336 . . . . 25.0 110.097 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -61.31 -44.05 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.673 0.749 . . . . 25.0 109.437 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -74.3 -31.16 62.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.116 -0.493 . . . . 25.0 109.749 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.77 -34.62 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.42 92.96 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.016 -0.427 . . . . 25.0 109.867 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -64.87 -37.82 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.929 -0.482 . . . . 25.0 109.949 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -65.56 -31.87 73.15 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.028 -0.42 . . . . 25.0 110.365 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -67.96 -40.92 83.11 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.118 -0.364 . . . . 25.0 110.049 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -66.77 -36.13 81.69 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.97 86.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.877 -0.515 . . . . 25.0 110.149 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -69.52 -45.07 69.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.389 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.2 p -67.54 -23.32 65.42 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.59 -23.89 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.192 -0.317 . . . . 25.0 111.143 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -106.46 -16.24 14.59 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.885 0.328 . . . . 25.0 111.885 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -82.15 58.95 4.21 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.12 -35.86 81.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.344 -1.298 . . . . 25.0 112.022 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -77.85 -27.94 49.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.712 -0.676 . . . . 25.0 112.294 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.17 18.02 41.08 Favored Glycine 0 CA--C 1.517 0.169 0 N-CA-C 115.215 0.846 . . . . 25.0 115.215 174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -79.09 -12.11 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 25.0 110.943 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.7 18.92 62.71 Favored Glycine 0 C--O 1.241 0.588 0 N-CA-C 111.09 -0.804 . . . . 25.0 111.09 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.7 p -136.17 164.64 27.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.072 0.463 . . . . 25.0 111.627 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.3 pt -134.38 165.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 103.897 -2.631 . . . . 25.0 103.897 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -85.08 162.6 19.23 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.329 -0.857 . . . . 25.0 108.731 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -59.4 -22.53 61.54 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.524 0.565 . . . . 25.0 112.524 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -87.86 -29.8 20.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.092 -0.38 . . . . 25.0 111.092 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.68 -13.11 60.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.056 0.455 . . . . 25.0 111.098 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.54 -41.6 66.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.083 0.468 . . . . 25.0 110.069 178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.27 -40.08 97.61 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.697 -0.763 . . . . 25.0 112.18 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -40.11 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.516 -0.402 . . . . 25.0 111.383 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.15 -45.01 99.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 88.6 mtp -64.22 -38.39 90.88 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.459 -0.776 . . . . 25.0 111.09 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -72.7 -12.53 61.06 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.441 0.534 . . . . 25.0 112.441 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 t -65.97 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.12 4.04 43.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.046 0.451 . . . . 25.0 109.949 178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.55 88.66 Favored Glycine 0 C--O 1.228 -0.264 0 C-N-CA 121.46 -0.4 . . . . 25.0 113.684 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -85.0 127.62 34.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.6 0.7 . . . . 25.0 110.246 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -88.04 108.41 21.24 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.73 152.73 47.93 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 114.505 -3.197 . . . . 25.0 110.233 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.99 139.87 43.23 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.919 -1.882 . . . . 25.0 105.919 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.53 -27.35 66.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.772 -0.58 . . . . 25.0 111.692 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.06 92.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.65 -42.56 91.28 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.833 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -41.78 90.57 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.245 -0.182 . . . . 25.0 110.677 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.25 -51.87 66.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -71.49 -32.03 67.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.276 0.472 . . . . 25.0 112.276 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.7 mtt -62.34 -36.73 83.1 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -43.21 93.46 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.23 -38.92 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 122.181 -0.325 . . . . 25.0 111.646 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.74 -34.32 76.97 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.029 -0.419 . . . . 25.0 111.351 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.7 t -84.78 -38.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.364 0.602 . . . . 25.0 111.315 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -66.57 -7.87 23.1 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.936 -0.477 . . . . 25.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.46 80.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.294 0.238 . . . . 25.0 110.452 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -87.22 -27.03 23.22 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 176.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 8.2 84.6 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 114.855 -1.066 . . . . 25.0 114.58 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -68.56 -28.86 67.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 117.578 0.689 . . . . 25.0 111.899 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.55 2.41 68.81 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.1 p -126.05 163.86 22.13 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.7 mt -127.97 113.49 31.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 105.234 -2.135 . . . . 25.0 105.234 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.71 172.22 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -62.04 -45.76 91.52 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.46 -24.18 42.9 Favored 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 112.733 -4.378 . . . . 25.0 113.95 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -72.21 -36.94 69.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -60.24 -44.47 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.58 -37.02 85.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.215 -0.303 . . . . 25.0 110.862 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -63.61 -40.28 96.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.5 tpp -66.0 -36.31 82.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.206 -0.309 . . . . 25.0 111.227 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.68 -37.42 79.58 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.667 -0.646 . . . . 25.0 109.358 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.71 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.572 -0.286 . . . . 25.0 110.812 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.57 -33.58 71.62 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -82.7 1.03 40.63 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.272 1.212 . . . . 25.0 114.272 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 tpt -76.63 -19.26 58.0 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 106.189 -1.782 . . . . 25.0 106.189 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -90.32 152.82 20.86 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.617 -1.623 . . . . 25.0 106.617 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.12 148.3 27.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.45 125.47 15.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.462 0.648 . . . . 25.0 109.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.94 -34.09 75.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.624 -0.716 . . . . 25.0 111.005 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.1 t -59.09 -25.01 63.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.548 -0.297 . . . . 25.0 111.632 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -94.29 -31.86 13.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -89.35 -33.27 16.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 116.006 1.854 . . . . 25.0 116.006 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -59.08 -39.46 82.23 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.743 0.702 . . . . 25.0 111.77 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.5 mt -65.38 -40.42 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.758 0.789 . . . . 25.0 109.555 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -73.16 -31.45 64.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 25.0 112.511 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.05 -36.65 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.79 64.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.354 0.501 . . . . 25.0 112.354 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -95.85 -27.63 15.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.24 0.459 . . . . 25.0 112.24 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -61.57 -31.97 72.04 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.8 m -69.69 -9.14 11.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -110.16 3.75 20.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.438 0.295 . . . . 25.0 111.506 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.6 121.21 11.03 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.997 0.427 . . . . 25.0 111.7 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -37.63 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 115.796 1.776 . . . . 25.0 115.796 -173.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -128.95 4.71 5.37 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.482 0.658 . . . . 25.0 110.8 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.3 24.83 74.53 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 108.567 -1.813 . . . . 25.0 108.567 -174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -115.47 12.79 16.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -173.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.39 13.29 63.76 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 116.045 1.178 . . . . 25.0 116.045 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.65 140.17 53.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 pt -139.45 161.53 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 t -71.7 153.32 42.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.533 -0.73 . . . . 25.0 109.838 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.66 -29.74 68.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.357 0.599 . . . . 25.0 109.711 176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.01 78.23 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.318 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.79 -34.75 72.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.31 -49.87 76.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.534 -0.543 . . . . 25.0 109.534 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -65.68 -31.72 72.88 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.682 -0.407 . . . . 25.0 110.854 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -61.73 -45.32 94.46 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.163 -0.215 . . . . 25.0 110.575 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.04 -45.5 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.45 -42.22 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 t -76.81 -15.26 59.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.629 -0.669 . . . . 25.0 111.882 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.52 -25.01 59.06 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.268 -0.27 . . . . 25.0 110.953 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.84 51.99 1.41 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.075 0.94 . . . . 25.0 110.378 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -158.31 174.52 35.5 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.482 -1.047 . . . . 25.0 110.482 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -150.94 168.32 24.87 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.2 tttt 63.94 -27.08 0.08 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 118.046 2.61 . . . . 25.0 118.046 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.3 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 25.0 111.499 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.4 p -112.75 160.96 17.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -58.52 -48.52 80.57 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -60.3 -34.14 73.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.318 0.58 . . . . 25.0 112.276 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -62.66 -35.38 79.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.822 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.42 -36.01 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.392 -0.596 . . . . 25.0 109.392 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.71 77.63 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 126' ' ' ARG . 4.7 tp10 -55.9 -38.33 70.07 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.556 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -29.2 37.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.077 0.465 . . . . 25.0 111.045 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.1 -38.23 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 123' ' ' GLU . 63.8 mtt180 -61.21 -16.88 49.74 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -97.89 -31.39 12.22 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.502 0.556 . . . . 25.0 112.502 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -102.93 2.88 35.75 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 117.603 2.446 . . . . 25.0 117.603 -173.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.79 161.89 13.37 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.1 pt -125.27 124.31 66.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.534 -0.757 . . . . 25.0 108.976 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -61.53 -24.06 66.36 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.772 1.027 . . . . 25.0 113.772 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.29 73.34 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.218 -0.515 . . . . 25.0 113.704 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.45 -25.4 5.6 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.44 21.6 78.6 Favored Glycine 0 C--O 1.246 0.848 0 N-CA-C 109.478 -1.449 . . . . 25.0 109.478 -175.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -117.99 158.18 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.552 -0.824 . . . . 25.0 112.092 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.8 m -116.81 156.92 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -85.32 138.59 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 103.257 -2.868 . . . . 25.0 103.257 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -99.89 -5.69 27.97 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.321 -0.952 . . . . 25.0 112.641 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.64 -46.53 78.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.395 -0.595 . . . . 25.0 109.395 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -69.19 -30.77 69.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.16 0.505 . . . . 25.0 110.346 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.38 -38.09 81.02 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.774 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.83 -42.68 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -60.57 -42.74 97.27 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 120.991 -0.284 . . . . 25.0 110.493 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 36.8 tpp -60.09 -31.19 69.8 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.189 -0.319 . . . . 25.0 111.763 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.33 -6.3 50.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.5 t -145.77 14.4 1.36 Allowed 'General case' 0 C--O 1.245 0.833 0 N-CA-C 114.018 1.118 . . . . 25.0 114.018 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.29 -165.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 -176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 C--O 1.246 0.896 0 O-C-N 124.916 1.385 . . . . 25.0 110.11 -178.345 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 110.243 -0.281 . . . . 25.0 110.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.39 -18.88 63.81 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.927 1.455 . . . . 25.0 114.927 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -82.34 50.83 1.69 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -126.74 148.6 49.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.0 p -130.67 161.3 31.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.007 0.432 . . . . 25.0 110.975 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -73.07 -23.24 60.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -63.23 -36.17 82.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.162 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -69.39 -18.5 63.78 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.657 -0.417 . . . . 25.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -67.11 -34.14 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.93 80.83 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.51 -37.87 88.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.318 0.58 . . . . 25.0 110.2 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.9 -34.02 77.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -68.89 -42.12 77.36 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.38 -37.96 88.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.336 -0.546 . . . . 25.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.126 0.489 . . . . 25.0 110.534 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -72.02 -46.21 58.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.179 0.514 . . . . 25.0 109.795 177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -67.6 -16.84 64.38 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.95 -29.19 66.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.827 0.822 . . . . 25.0 108.836 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -106.72 -4.19 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.629 0.974 . . . . 25.0 113.629 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -101.78 104.2 14.97 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 174.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -97.88 -4.39 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.211 -0.449 . . . . 25.0 111.902 -176.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -108.3 -28.0 9.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.88 9.7 55.92 Favored Glycine 0 C--N 1.322 -0.239 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.685 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -74.27 -12.58 60.59 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 117.316 0.558 . . . . 25.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 23.73 58.06 Favored Glycine 0 C--O 1.235 0.216 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.215 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 78.6 p -131.64 160.46 35.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.179 0.514 . . . . 25.0 111.528 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 pt -137.96 169.83 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 175.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 p -87.1 165.35 15.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 p -60.2 -26.83 66.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.531 0.682 . . . . 25.0 110.991 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 4.1 mptt -73.92 -37.19 64.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.05 -18.04 62.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.884 -0.598 . . . . 25.0 112.409 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.46 -43.04 75.12 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.38 -36.96 93.85 Favored Glycine 0 C--O 1.23 -0.141 0 C-N-CA 120.459 -0.877 . . . . 25.0 111.547 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -35.0 76.27 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.607 0.595 . . . . 25.0 112.607 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.06 -46.15 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.9 mmt -60.48 -44.65 95.69 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -59.28 -35.37 73.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.781 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m -69.17 -25.15 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.3 -0.25 . . . . 25.0 111.326 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.3 mt -88.49 0.48 56.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.128 0.489 . . . . 25.0 110.129 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.57 0.28 88.06 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.893 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -85.12 132.09 34.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.966 0.413 . . . . 25.0 110.518 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -112.23 92.27 18.38 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.319 -0.4 . . . . 25.0 110.267 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.56 153.58 73.33 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 115.373 -2.618 . . . . 25.0 110.754 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.91 139.58 50.76 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 103.869 -2.641 . . . . 25.0 103.869 174.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.36 -27.51 68.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.9 87.37 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.031 -0.418 . . . . 25.0 110.405 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.93 -35.68 72.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.42 -35.54 80.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.57 -44.72 93.28 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.416 -0.326 . . . . 25.0 110.127 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -59.86 -41.9 92.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.209 0.458 . . . . 25.0 110.502 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.5 mtt -61.27 -34.19 74.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 111.403 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.06 -45.26 22.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 25.0 111.057 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.6 mm -60.85 -39.95 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.51 -27.11 68.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.511 -0.876 . . . . 25.0 111.71 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.08 -33.16 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.606 0.717 . . . . 25.0 110.136 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.01 -26.2 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.81 70.24 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.778 177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.57 -24.06 60.04 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.597 1.189 . . . . 25.0 108.95 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.95 8.93 87.25 Favored Glycine 0 N--CA 1.458 0.156 0 CA-C-N 113.359 -1.746 . . . . 25.0 115.814 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -88.27 -28.94 20.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.48 25.24 60.43 Favored Glycine 0 C--O 1.243 0.667 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -128.25 154.11 46.23 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.291 0.637 . . . . 25.0 109.629 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -130.95 126.39 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 160.76 20.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.982 0.42 . . . . 25.0 110.2 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -55.77 -46.91 99.68 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 114.915 1.45 . . . . 25.0 114.915 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.78 -32.88 55.6 Favored 'Trans proline' 0 C--N 1.357 0.978 1 C-N-CA 112.709 -4.394 . . . . 25.0 114.714 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -77.22 -22.98 51.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.535 -0.728 . . . . 25.0 111.279 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.32 -39.68 94.38 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 172.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -41.82 75.35 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.188 -0.32 . . . . 25.0 110.207 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.4 m -58.72 -38.19 77.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.948 0.404 . . . . 25.0 110.912 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 tpp -59.83 -42.57 93.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.014 0.435 . . . . 25.0 110.625 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 77.1 mtm -76.42 -25.66 54.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.09 64.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.37 0.605 . . . . 25.0 110.663 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.26 -29.31 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.99 -0.444 . . . . 25.0 110.926 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -92.92 1.78 57.12 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 123.592 0.757 . . . . 25.0 112.848 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.7 ttt -75.58 6.52 4.67 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.818 0.818 . . . . 25.0 112.866 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -88.45 100.74 13.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.176 -0.92 . . . . 25.0 111.506 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.75 147.62 52.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 m -132.01 117.8 18.87 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.959 0.409 . . . . 25.0 110.685 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.0 -61.2 2.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 117.359 2.355 . . . . 25.0 117.359 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.4 p -95.01 -66.8 0.89 Allowed 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 120.658 3.577 . . . . 25.0 120.658 -171.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -94.7 -66.7 0.9 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 119.368 3.099 . . . . 25.0 119.368 -167.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.71 -35.2 77.37 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 116.282 1.956 . . . . 25.0 116.282 -168.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -63.08 -46.19 88.61 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 118.796 0.725 . . . . 25.0 111.465 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.01 -41.66 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -65.8 -36.27 83.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.001 -0.545 . . . . 25.0 112.061 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.54 -32.88 74.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.216 -0.302 . . . . 25.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.1 -35.92 70.01 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.609 0.242 . . . . 25.0 110.832 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -86.52 -37.84 17.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.067 0.46 . . . . 25.0 110.597 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -58.55 -33.11 69.54 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.439 0.903 . . . . 25.0 113.439 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.69 -17.93 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 O-C-N 121.78 -0.575 . . . . 25.0 111.517 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.38 -1.45 35.99 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.95 -0.469 . . . . 25.0 111.473 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.96 74.91 7.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.494 1.14 . . . . 25.0 109.131 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -69.89 -23.74 63.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.662 -175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -93.25 -11.75 31.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.918 0.389 . . . . 25.0 111.019 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.26 27.61 72.6 Favored Glycine 0 CA--C 1.516 0.146 0 CA-C-N 116.267 -0.424 . . . . 25.0 112.136 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -123.21 8.28 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 -174.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.55 5.85 84.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.97 -0.633 . . . . 25.0 114.405 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -115.51 140.19 49.38 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.67 0.735 . . . . 25.0 111.333 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.88 160.87 36.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 104.861 -2.274 . . . . 25.0 104.861 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 135' ' ' GLN . 43.9 t -73.7 152.99 40.26 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.808 -1.182 . . . . 25.0 107.808 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.11 -25.27 65.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.318 0.58 . . . . 25.0 109.949 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.5 96.34 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -74.36 -34.24 63.31 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.909 -0.774 . . . . 25.0 108.909 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.8 ttm-85 -66.0 -31.24 72.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.93 -0.577 . . . . 25.0 109.701 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -66.76 -36.82 83.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.191 -0.318 . . . . 25.0 110.809 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.49 -45.87 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.4 -38.91 88.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.948 0.88 . . . . 25.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -17.26 62.43 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.102 -0.499 . . . . 25.0 111.165 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -86.91 -40.72 14.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.34 -31.51 72.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.956 0.408 . . . . 25.0 111.086 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.18 21.95 21.26 Favored Glycine 0 C--O 1.23 -0.148 0 C-N-CA 120.798 -0.715 . . . . 25.0 114.862 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.67 81.85 1.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.159 -1.422 . . . . 25.0 107.159 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -140.72 41.87 1.85 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -171.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.52 -55.28 16.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.33 157.25 28.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 169.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.32 -23.11 66.31 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.94 0.876 . . . . 25.0 109.004 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.91 -22.74 65.06 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 115.208 -0.905 . . . . 25.0 110.929 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.14 -38.12 89.93 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.639 0.733 . . . . 25.0 109.607 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.57 -42.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 122.054 0.93 . . . . 25.0 109.723 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -44.02 61.5 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.021 1.489 . . . . 25.0 115.021 -173.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.42 -39.39 90.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.094 -0.379 . . . . 25.0 111.356 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.8 mmm -62.0 -27.14 68.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.55 0.574 . . . . 25.0 112.55 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.2 -37.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.28 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.91 -23.09 66.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -72.67 -24.91 61.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.507 0.67 . . . . 25.0 111.44 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.59 168.94 15.91 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.605 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.2 163.66 27.56 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.835 -0.62 . . . . 25.0 110.636 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.1 pt -77.23 164.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 114.989 1.477 . . . . 25.0 114.989 -175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.49 124.73 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.12 -0.946 . . . . 25.0 109.977 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -89.32 -59.94 1.51 Allowed Glycine 0 C--O 1.223 -0.586 0 N-CA-C 110.316 -1.114 . . . . 25.0 110.316 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -107.0 12.06 29.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.677 0.751 . . . . 25.0 109.495 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.64 -2.34 82.45 Favored Glycine 0 C--O 1.236 0.266 0 CA-C-N 115.869 -0.605 . . . . 25.0 112.5 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 101' ' ' SER . 83.5 mt-30 -117.68 149.8 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.019 0.527 . . . . 25.0 111.414 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -133.37 155.48 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -92.26 100.96 13.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.153 0.978 . . . . 25.0 111.625 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -62.03 -23.91 66.74 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.13 -35.57 81.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 25.0 111.652 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -88.97 -26.75 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.656 -0.653 . . . . 25.0 109.46 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -66.89 -42.72 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.714 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.68 -31.55 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.23 -39.86 68.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.425 -0.584 . . . . 25.0 109.425 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 35.8 tpp -65.15 -34.54 78.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.819 0.343 . . . . 25.0 111.111 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 92.9 mtp -60.79 -28.23 68.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t -105.66 1.44 27.26 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.038 0.384 . . . . 25.0 112.038 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.31 102.83 9.77 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.076 -0.39 . . . . 25.0 110.15 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 116.181 -1.866 . . . . 25.0 106.484 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 110.815 -0.069 . . . . 25.0 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.47 33.2 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.182 1.179 . . . . 25.0 114.182 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -88.13 80.92 7.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 pp -129.17 159.77 34.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.543 -0.753 . . . . 25.0 109.013 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.8 p -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 25.0 111.464 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.36 -16.87 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.119 -0.491 . . . . 25.0 111.103 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.79 -41.02 98.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -72.58 -32.44 66.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.755 -0.657 . . . . 25.0 109.679 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.41 -38.26 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.63 96.15 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 110.268 -0.271 . . . . 25.0 110.268 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -61.73 -43.6 98.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.309 0.576 . . . . 25.0 109.933 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -64.1 -36.39 83.86 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.092 -0.38 . . . . 25.0 110.025 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -40.94 95.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.439 -0.163 . . . . 25.0 111.258 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.3 -40.78 86.09 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.63 -0.828 . . . . 25.0 110.196 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -35.39 80.92 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.226 0.536 . . . . 25.0 110.979 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.58 -46.01 70.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.223 0.535 . . . . 25.0 110.055 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -68.52 -15.08 63.42 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -22.34 66.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.8 m-85 -113.93 -22.97 9.84 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.214 0.449 . . . . 25.0 112.214 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -77.37 87.99 3.76 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.353 1.073 . . . . 25.0 108.773 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -69.61 -24.9 63.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.492 -1.231 . . . . 25.0 114.181 -177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.01 -27.77 12.41 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.162 1.171 . . . . 25.0 114.162 -172.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.63 40.17 Favored Glycine 0 C--N 1.321 -0.257 0 C-N-CA 121.507 -0.377 . . . . 25.0 113.607 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.1 -11.63 59.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.023 0.439 . . . . 25.0 111.043 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.85 44.51 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 121.349 -0.453 . . . . 25.0 112.841 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 p -132.2 162.5 30.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.207 0.527 . . . . 25.0 112.333 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.5 pt -137.07 162.45 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 103.089 -2.93 . . . . 25.0 103.089 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.0 p -82.19 161.1 22.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.754 1.161 . . . . 25.0 108.725 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.4 p -59.5 -36.73 76.62 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 122.107 0.956 . . . . 25.0 108.838 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.66 -36.05 75.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.018 -0.992 . . . . 25.0 111.817 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.17 -12.02 58.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.23 -46.1 62.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.195 0.521 . . . . 25.0 111.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.65 -34.29 89.51 Favored Glycine 0 C--O 1.227 -0.309 0 C-N-CA 120.673 -0.775 . . . . 25.0 112.425 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -41.01 61.67 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.284 -0.539 . . . . 25.0 111.018 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 19' ' ' PHE . 73.9 t -65.81 -48.46 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.0 tpt -59.88 -42.24 93.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 25.0 110.646 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.0 -24.07 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.967 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -68.22 -19.03 64.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.003 -0.436 . . . . 25.0 111.835 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.24 8.04 29.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.126 0.489 . . . . 25.0 110.461 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.05 4.78 88.2 Favored Glycine 0 C--O 1.223 -0.552 0 C-N-CA 121.07 -0.586 . . . . 25.0 114.379 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -130.5 132.08 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -103.97 143.13 26.04 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.92 168.82 20.29 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 117.005 -1.53 . . . . 25.0 108.612 174.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 t -75.34 155.82 36.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 103.242 -2.873 . . . . 25.0 103.242 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -62.27 -27.26 68.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.676 -0.64 . . . . 25.0 112.106 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -44.86 92.47 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.233 -0.292 . . . . 25.0 110.473 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.71 -43.22 97.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.288 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.74 -47.46 72.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.304 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.21 -43.59 98.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 25.0 111.367 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.1 mtt -66.12 -30.34 70.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -76.61 -49.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.0 mm -60.94 -38.72 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.57 -17.39 64.54 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.8 t -109.88 -41.68 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-O 121.07 0.462 . . . . 25.0 111.696 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -13.81 62.52 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.67 -0.644 . . . . 25.0 111.743 -178.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -28.32 69.83 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 110.938 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.88 -24.07 59.68 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.236 1.017 . . . . 25.0 109.927 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.19 6.15 75.29 Favored Glycine 0 C--O 1.23 -0.143 0 CA-C-N 114.775 -1.102 . . . . 25.0 112.124 -178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -65.78 -28.6 69.13 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.186 0.517 . . . . 25.0 111.789 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.36 -10.09 6.74 Favored Glycine 0 C--O 1.239 0.448 0 N-CA-C 115.991 1.156 . . . . 25.0 115.991 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -128.19 162.16 27.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 117.221 0.51 . . . . 25.0 110.759 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.6 mt -127.09 127.94 70.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.66 170.74 14.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.286 1.041 . . . . 25.0 110.192 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -64.44 -45.59 77.5 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 113.683 0.994 . . . . 25.0 113.683 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -65.57 -24.23 56.23 Favored 'Trans proline' 0 C--N 1.356 0.945 1 C-N-CA 112.767 -4.355 . . . . 25.0 114.129 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -71.57 -41.76 68.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.814 -0.809 . . . . 25.0 108.814 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -56.95 -44.61 82.72 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.51 -35.97 82.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.091 -0.381 . . . . 25.0 111.193 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.5 m -63.29 -39.61 95.06 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.6 mtt -63.83 -42.26 97.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.0 mmt -65.24 -44.19 88.98 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.899 0.381 . . . . 25.0 110.695 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.81 88.38 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.683 -0.235 . . . . 25.0 110.373 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.476 -0.14 . . . . 25.0 110.713 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.59 -27.42 66.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.111 0.481 . . . . 25.0 110.556 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.8 mtm -82.27 -2.97 54.26 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.963 1.097 . . . . 25.0 113.963 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -82.41 148.21 28.34 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.604 -0.685 . . . . 25.0 111.777 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.26 153.82 31.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.28 -0.873 . . . . 25.0 111.394 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -131.96 137.56 47.96 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 103.443 -2.799 . . . . 25.0 103.443 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.66 -66.05 0.46 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 117.991 2.589 . . . . 25.0 117.991 -167.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.2 p -94.5 -25.75 16.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.904 -0.497 . . . . 25.0 112.299 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.3 -45.66 83.51 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -174.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.48 -33.29 75.37 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.614 -173.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.65 -44.65 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.513 0.673 . . . . 25.0 109.39 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 84.0 mt -68.21 -42.05 84.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-O 121.697 0.761 . . . . 25.0 109.467 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.51 -41.7 98.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.399 -0.818 . . . . 25.0 110.526 -178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.41 -47.92 66.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.31 75.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.469 0.914 . . . . 25.0 113.469 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -82.02 -28.46 32.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -65.61 -18.37 65.27 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.18 -28.42 44.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 120.953 0.406 . . . . 25.0 110.502 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -109.29 14.4 23.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -65.66 111.23 3.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.571 0.7 . . . . 25.0 110.13 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -66.83 -48.55 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.74 5.31 13.1 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.04 29.54 56.83 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 108.198 -1.961 . . . . 25.0 108.198 -175.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -128.69 13.33 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.556 0.743 . . . . 25.0 112.877 -174.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.75 4.56 90.3 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.409 0.924 . . . . 25.0 115.409 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -96.71 136.43 37.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.267 1.033 . . . . 25.0 111.171 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.2 pt -132.81 163.07 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.8 t -77.1 151.89 35.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.97 -23.91 66.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.446 0.641 . . . . 25.0 109.33 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.9 83.5 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.99 0.424 . . . . 25.0 110.052 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -77.92 -30.78 50.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.048 -0.523 . . . . 25.0 109.773 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.65 -46.04 88.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -63.41 -39.66 95.09 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.458 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.81 -43.75 98.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.779 -0.191 . . . . 25.0 111.205 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.61 -42.27 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.233 -0.655 . . . . 25.0 109.233 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.0 mtt -61.37 -43.09 99.47 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.559 -0.456 . . . . 25.0 111.914 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 p -70.53 -26.46 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.929 -0.482 . . . . 25.0 111.461 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.85 -23.11 61.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.748 0.308 . . . . 25.0 110.402 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -90.57 -2.86 57.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.709 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 127.14 123.8 2.66 Favored Glycine 0 CA--C 1.516 0.117 0 CA-C-O 121.503 0.502 . . . . 25.0 112.747 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.51 154.17 42.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.396 0.617 . . . . 25.0 110.572 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -94.63 175.78 6.54 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.32 -47.87 82.35 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.113 0.782 . . . . 25.0 113.113 -175.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.3 t -119.01 152.73 35.87 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -62.31 -30.18 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.353 0.596 . . . . 25.0 109.74 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -60.21 -35.03 74.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.463 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -65.19 -23.37 67.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.386 0.612 . . . . 25.0 110.272 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -90.25 -48.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -41.48 86.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.453 1.649 . . . . 25.0 115.453 -173.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -68.22 -30.47 69.55 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.409 -0.516 . . . . 25.0 110.324 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 46.8 ttp -67.4 -31.28 71.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.546 0.689 . . . . 25.0 110.365 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.5 mt -78.29 -32.49 16.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -66.39 -10.17 40.89 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.725 1.38 . . . . 25.0 114.725 -178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.63 -30.61 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 25.0 110.092 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.4 158.9 15.82 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.538 -0.755 . . . . 25.0 111.084 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -73.84 65.66 1.06 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 122.016 0.912 . . . . 25.0 112.076 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.1 pt -65.87 -18.03 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 113.921 1.082 . . . . 25.0 113.921 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.54 -6.81 59.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 25.0 111.002 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.08 -54.59 3.14 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.712 -0.756 . . . . 25.0 114.407 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -120.12 -21.47 7.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.38 -8.82 11.75 Favored Glycine 0 C--O 1.24 0.508 0 O-C-N 121.832 -0.542 . . . . 25.0 113.45 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -118.01 152.12 36.13 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.84 149.94 23.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -87.53 112.2 21.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -61.28 -30.44 70.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -171.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.2 -42.89 96.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.458 0.647 . . . . 25.0 110.521 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -72.88 -34.93 67.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.446 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -68.45 -33.53 74.35 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 119.791 -0.764 . . . . 25.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.49 -42.53 95.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.747 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -65.91 -38.04 87.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.56 -0.291 . . . . 25.0 110.585 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 57.2 ttm -62.61 -41.68 99.14 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 122.951 0.5 . . . . 25.0 111.391 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mtm -71.81 -17.43 62.16 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.329 -0.232 . . . . 25.0 111.049 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.7 p 61.02 56.86 2.69 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 106.55 -1.648 . . . . 25.0 106.55 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -48.69 150.45 1.42 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.721 -1.581 . . . . 25.0 111.384 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.071 -0.966 . . . . 25.0 109.889 -175.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.9 -167.06 1.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.445 -1.317 . . . . 25.0 107.445 -171.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -141.68 142.48 33.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.935 0.717 . . . . 25.0 112.935 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.0 mt 63.69 17.96 10.79 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.883 1.273 . . . . 25.0 112.967 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.3 p -114.58 160.27 19.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.878 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.6 -13.53 62.16 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.517 0.675 . . . . 25.0 110.619 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -63.73 -35.47 80.68 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.906 -0.317 . . . . 25.0 110.295 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mm -64.5 -37.72 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.4 81.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -63.09 -39.63 95.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.233 -0.292 . . . . 25.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -64.79 -39.1 93.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -66.33 -45.82 78.97 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.812 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -69.03 -31.7 70.69 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.575 -0.85 . . . . 25.0 110.27 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.38 -37.26 86.47 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.777 -0.453 . . . . 25.0 109.777 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -69.62 -42.93 73.7 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.6 t -57.97 -32.35 67.77 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.121 0.968 . . . . 25.0 112.707 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.97 -24.85 64.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' HG22 ' A' ' 35' ' ' VAL . 91.3 m-85 -113.52 -2.98 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -85.87 80.23 8.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -24.28 36.63 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.637 -0.711 . . . . 25.0 112.417 -175.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.63 -26.23 15.83 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.48 0.919 . . . . 25.0 113.48 -172.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.8 18.4 47.88 Favored Glycine 0 C--N 1.322 -0.241 0 N-CA-C 111.336 -0.706 . . . . 25.0 111.336 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -86.75 -17.73 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.949 0.404 . . . . 25.0 110.429 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.55 14.78 72.7 Favored Glycine 0 C--O 1.243 0.668 0 CA-C-O 119.094 -0.837 . . . . 25.0 114.205 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -127.15 164.51 21.46 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.132 0.966 . . . . 25.0 112.181 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.2 pt -133.17 159.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 104.855 -2.276 . . . . 25.0 104.855 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -85.46 160.48 19.7 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.8 p -62.52 -24.91 67.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.045 0.926 . . . . 25.0 110.364 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -70.74 -30.96 67.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.527 -0.761 . . . . 25.0 109.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.35 -13.9 45.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 25.0 110.445 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.12 -37.85 64.79 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 122.028 -0.42 . . . . 25.0 111.179 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.72 98.02 Favored Glycine 0 C--O 1.225 -0.447 0 C-N-CA 120.343 -0.932 . . . . 25.0 111.739 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.7 80.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.78 -0.247 . . . . 25.0 111.412 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 19' ' ' PHE . 64.5 t -61.95 -46.36 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 25.0 110.587 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.613 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -26.37 67.6 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -72.44 -11.4 60.66 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -5.71 43.16 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.518 0.675 . . . . 25.0 109.278 172.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.53 -4.64 43.58 Favored Glycine 0 N--CA 1.454 -0.14 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.185 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -140.49 137.07 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.33 0.565 . . . . 25.0 109.801 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.92 151.73 47.59 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.898 -0.408 . . . . 25.0 109.898 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.76 176.93 9.49 Favored 'Trans proline' 0 C--O 1.239 0.549 0 N-CA-C 108.636 -1.332 . . . . 25.0 108.636 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.32 144.75 53.43 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -65.37 -33.7 76.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.982 -0.448 . . . . 25.0 111.672 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.75 -44.74 73.12 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.5 -37.06 84.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.543 0.687 . . . . 25.0 109.77 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.64 -43.45 98.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -42.54 92.27 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.62 -0.432 . . . . 25.0 110.092 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -58.58 -44.51 89.8 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.0 0.429 . . . . 25.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 78.2 mtm -65.26 -34.82 79.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.821 0.343 . . . . 25.0 111.366 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -68.18 -41.98 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 mm -61.15 -43.68 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 119.049 -0.501 . . . . 25.0 112.059 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.36 -43.08 88.25 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.098 0.863 . . . . 25.0 112.336 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.8 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.301 0.572 . . . . 25.0 112.135 -175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.49 -25.59 60.52 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.072 -1.018 . . . . 25.0 108.81 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.85 -33.01 68.09 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -65.07 -26.06 68.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 122.669 1.223 . . . . 25.0 108.518 175.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.24 7.03 83.62 Favored Glycine 0 CA--C 1.508 -0.365 0 CA-C-N 113.525 -1.67 . . . . 25.0 115.515 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -91.82 -29.07 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.52 37.07 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.1 p -131.73 152.39 50.95 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.1 mt -129.11 121.52 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.542 -1.281 . . . . 25.0 107.542 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.49 160.24 23.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.02 -45.6 99.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.79 -30.97 58.68 Favored 'Trans proline' 0 C--N 1.355 0.911 1 C-N-CA 112.871 -4.286 . . . . 25.0 114.243 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -31.2 63.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.916 -0.49 . . . . 25.0 110.367 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.22 -42.91 99.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.28 -39.95 81.99 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.638 -0.664 . . . . 25.0 110.201 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -63.95 -42.16 97.39 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.2 ptm -67.99 -33.92 75.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.448 -0.782 . . . . 25.0 110.247 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 mmt -70.31 -35.15 73.47 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.85 67.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.264 -0.272 . . . . 25.0 110.836 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -66.34 -42.14 88.56 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -69.73 -18.91 63.55 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 121.317 0.58 . . . . 25.0 111.861 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttp -83.72 9.81 10.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.449 0.907 . . . . 25.0 113.449 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -121.69 150.67 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.763 1.023 . . . . 25.0 113.763 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -93.4 160.96 14.58 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.09 -1.414 . . . . 25.0 109.81 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -160.54 98.86 1.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.592 0.71 . . . . 25.0 110.333 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -38.09 69.93 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.285 0.564 . . . . 25.0 111.834 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -58.91 -32.26 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.67 -0.695 . . . . 25.0 112.759 -176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -94.58 -46.59 6.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.407 0.622 . . . . 25.0 110.999 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.73 -35.53 78.93 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.96 -43.59 98.52 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.328 0.967 . . . . 25.0 109.656 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -70.75 -41.83 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.605 0.717 . . . . 25.0 109.395 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.26 -38.34 78.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.37 -33.46 63.45 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.9 22.91 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.71 -31.18 13.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -64.13 -25.95 68.32 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.4 m -67.48 -19.93 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -119.79 6.58 10.94 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -73.09 132.36 43.21 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -61.79 -49.68 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -176.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -128.43 4.91 5.67 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.015 0.436 . . . . 25.0 110.717 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.38 32.56 27.86 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 107.933 -2.067 . . . . 25.0 107.933 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -66.37 -26.01 67.06 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 114.839 1.422 . . . . 25.0 114.839 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.17 -0.04 74.77 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.947 -0.861 . . . . 25.0 110.947 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -128.42 141.55 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.381 0.672 . . . . 25.0 109.307 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.5 pt -141.22 168.05 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 t -74.26 150.97 39.98 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.29 68.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.514 0.673 . . . . 25.0 110.559 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.11 74.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.265 -0.425 . . . . 25.0 111.582 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -35.46 37.6 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.89 -45.83 93.05 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.335 -1.357 . . . . 25.0 107.335 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.021 -0.99 . . . . 25.0 111.27 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.2 -43.63 94.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.825 -0.547 . . . . 25.0 110.851 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.87 -42.9 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.12 -35.59 80.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.5 m -62.53 -35.34 79.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.085 0.469 . . . . 25.0 110.117 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -73.07 -5.57 39.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 25.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.8 tp -131.17 44.2 2.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.99 -170.2 3.28 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 117.483 1.753 . . . . 25.0 117.483 -176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 58.29 47.9 13.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.892 0.877 . . . . 25.0 111.999 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -125.53 129.93 50.72 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.7 mt 52.62 -147.76 0.45 Allowed 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.287 0.992 . . . . 25.0 109.317 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -118.87 160.54 21.75 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.911 -2.255 . . . . 25.0 104.911 171.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -57.58 -34.03 68.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.249 0.547 . . . . 25.0 110.031 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.22 -36.02 82.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.727 -0.67 . . . . 25.0 111.858 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -76.88 -34.39 57.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.917 0.389 . . . . 25.0 110.378 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.44 -33.78 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.469 -0.332 . . . . 25.0 110.536 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.7 -44.73 63.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.118 0.784 . . . . 25.0 113.118 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -57.53 -35.85 70.81 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -70.84 -27.37 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.081 -0.387 . . . . 25.0 111.023 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.44 -42.41 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -60.72 -31.18 70.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -75.81 -27.9 58.1 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.005 0.431 . . . . 25.0 112.156 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.29 -31.59 13.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.95 122.15 15.3 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.61 103.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.47 -1.308 . . . . 25.0 107.47 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -57.48 -26.33 61.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.712 -1.131 . . . . 25.0 113.046 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.4 -38.77 95.29 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 115.523 0.969 . . . . 25.0 115.523 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -126.04 -8.02 6.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.451 1.649 . . . . 25.0 115.451 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.41 19.41 74.12 Favored Glycine 0 C--O 1.249 1.061 0 C-N-CA 121.357 -0.449 . . . . 25.0 113.113 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.92 169.11 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.124 0.487 . . . . 25.0 111.067 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.85 159.93 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -96.65 138.83 33.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 103.766 -2.679 . . . . 25.0 103.766 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -105.9 -8.25 17.77 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.1 -32.92 73.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.693 -0.855 . . . . 25.0 108.693 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -63.35 -39.36 94.34 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -68.8 -31.1 69.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.608 -0.683 . . . . 25.0 111.425 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.93 -46.86 95.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -61.31 -49.75 75.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.939 0.4 . . . . 25.0 110.264 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.1 ttm -63.58 -21.18 66.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -98.94 -28.3 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.2 t -84.49 -23.35 29.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.035 0.38 . . . . 25.0 111.181 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -146.38 135.42 22.57 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.007 -0.433 . . . . 25.0 110.767 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt . . . . . 0 C--O 1.246 0.891 0 N-CA-C 105.732 -1.951 . . . . 25.0 105.732 178.669 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -108.77 -178.61 3.63 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 61.94 28.48 17.33 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.175 0.99 . . . . 25.0 111.86 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.2 mt -103.16 169.96 8.25 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.6 p -76.57 156.06 33.12 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.983 -1.117 . . . . 25.0 107.983 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -61.9 -29.81 70.45 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.792 0.664 . . . . 25.0 112.792 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -34.08 75.22 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.079 -0.388 . . . . 25.0 110.474 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.93 -36.72 64.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.157 -0.682 . . . . 25.0 109.157 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.62 -36.71 78.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.62 -1.252 . . . . 25.0 107.62 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.48 93.37 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 110.266 -0.272 . . . . 25.0 110.266 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.75 -42.91 89.93 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.047 0.385 . . . . 25.0 110.561 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -62.77 -40.13 96.33 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.0 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -70.11 -41.17 74.35 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.604 -0.438 . . . . 25.0 111.405 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -64.15 -44.24 92.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.65 78.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.088 0.471 . . . . 25.0 110.834 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.02 -48.57 57.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.145 0.498 . . . . 25.0 110.091 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 87.5 p -70.37 -14.74 62.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.44 0.904 . . . . 25.0 113.44 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.28 -25.84 67.37 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.95 -26.29 8.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.591 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 59.7 t0 -79.73 82.06 5.89 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.686 0.755 . . . . 25.0 109.168 174.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -97.47 -1.79 43.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.264 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.47 -28.05 16.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.572 0.701 . . . . 25.0 110.247 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.79 9.37 61.19 Favored Glycine 0 C--O 1.23 -0.156 0 CA-C-N 115.344 -0.843 . . . . 25.0 114.803 173.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -73.11 -15.54 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.07 0.435 . . . . 25.0 111.736 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.74 16.77 65.03 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.7 p -132.75 165.05 25.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.382 0.611 . . . . 25.0 111.869 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -135.29 164.54 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 104.168 -2.531 . . . . 25.0 104.168 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.5 p -92.46 161.94 14.43 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 p -58.34 -30.67 66.92 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.557 0.694 . . . . 25.0 110.194 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -59.89 -35.08 74.08 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.817 -0.629 . . . . 25.0 110.919 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -97.12 -5.91 36.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -53.46 -46.37 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.018 0.437 . . . . 25.0 110.96 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.28 91.87 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 120.696 -0.764 . . . . 25.0 112.154 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -33.24 66.78 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.123 -0.634 . . . . 25.0 112.016 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.1 t -67.04 -44.34 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.1 mtp -61.95 -41.06 97.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.923 -0.399 . . . . 25.0 109.923 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -57.41 -35.91 70.65 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.804 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.8 t -68.09 -22.6 64.91 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.14 6.65 48.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.524 0.678 . . . . 25.0 109.481 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 -4.74 82.72 Favored Glycine 0 CA--C 1.517 0.176 0 CA-C-N 115.883 -0.599 . . . . 25.0 114.305 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -91.15 127.07 36.43 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.03 -0.688 . . . . 25.0 109.731 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.84 114.21 56.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 105.39 -2.078 . . . . 25.0 105.39 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.2 153.15 45.87 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 115.723 -2.384 . . . . 25.0 112.511 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -71.99 165.5 24.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.601 -1.629 . . . . 25.0 106.601 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -33.81 76.75 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.61 70.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.975 -0.38 . . . . 25.0 109.975 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -59.19 -41.9 89.62 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.082 0.468 . . . . 25.0 110.72 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.66 -42.89 99.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.089 -0.505 . . . . 25.0 109.891 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -68.66 -44.4 74.16 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.05 -0.26 . . . . 25.0 110.611 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.49 -44.52 84.99 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 110.811 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.5 mtm -68.3 -32.69 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.151 -0.477 . . . . 25.0 111.896 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.86 -39.31 77.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 119.236 -0.411 . . . . 25.0 110.463 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.09 -37.75 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 118.745 0.702 . . . . 25.0 111.83 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -58.3 -38.38 76.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.493 0.663 . . . . 25.0 111.064 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 t -88.34 -25.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.812 -0.631 . . . . 25.0 111.229 -176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -66.95 -32.33 73.5 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.83 -34.59 78.15 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.959 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -77.47 -26.51 51.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.716 1.246 . . . . 25.0 110.391 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.37 5.15 62.35 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 117.507 1.763 . . . . 25.0 117.507 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -88.45 -25.94 22.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.644 1.222 . . . . 25.0 111.349 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.77 84.5 Favored Glycine 0 C--O 1.241 0.589 0 C-N-CA 120.84 -0.695 . . . . 25.0 114.76 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.7 p -121.09 159.0 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.015 0.407 . . . . 25.0 110.846 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.6 mt -134.26 123.39 43.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 107.586 -1.265 . . . . 25.0 107.586 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.53 163.35 21.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.943 0.402 . . . . 25.0 110.066 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.17 -46.96 99.63 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -66.33 -31.0 44.43 Favored 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 112.816 -4.323 . . . . 25.0 114.129 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -74.56 -28.65 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.609 -0.682 . . . . 25.0 110.702 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.31 -45.77 92.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.448 -1.315 . . . . 25.0 107.448 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.24 -41.5 89.94 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 122.103 -0.373 . . . . 25.0 111.004 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -67.96 -42.93 80.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.744 0.646 . . . . 25.0 112.744 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.2 ttp -63.48 -40.43 97.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.637 -0.664 . . . . 25.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 mmt -67.24 -27.94 67.64 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.989 -0.444 . . . . 25.0 110.493 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.15 -27.48 64.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -63.7 -41.46 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.193 0.52 . . . . 25.0 111.703 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -87.86 2.16 52.17 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.802 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.3 ttt -68.35 -20.85 64.75 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.575 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.33 147.29 36.24 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.03 -148.98 0.43 Allowed 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.178 1.177 . . . . 25.0 114.178 -173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.7 m -63.11 -16.91 61.54 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.261 1.024 . . . . 25.0 112.282 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.31 -23.51 23.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.158 0.504 . . . . 25.0 111.161 176.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m -56.81 -33.01 66.3 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -66.89 -40.0 87.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.139 -0.351 . . . . 25.0 111.744 -176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.13 -16.95 33.94 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 119.41 -0.916 . . . . 25.0 110.979 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.35 -38.99 92.98 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.3 mt -63.35 -39.37 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 177.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.227 -0.442 . . . . 25.0 109.919 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.34 -35.08 77.99 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.663 0.385 . . . . 25.0 111.549 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.2 59.8 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.563 0.22 . . . . 25.0 111.536 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -95.96 -30.94 13.33 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.917 0.34 . . . . 25.0 111.917 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -64.25 -27.32 68.97 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.707 0.632 . . . . 25.0 112.707 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -68.05 -13.82 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.832 -0.543 . . . . 25.0 111.611 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -102.44 -2.06 29.48 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.211 -0.292 . . . . 25.0 110.211 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.18 85.54 7.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.827 0.822 . . . . 25.0 109.02 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -31.64 71.66 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -175.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.49 -7.38 22.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -173.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.86 29.65 64.82 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -112.68 1.79 15.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -175.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.67 1.23 90.06 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 116.379 1.312 . . . . 25.0 116.379 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -104.39 137.69 41.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.469 1.135 . . . . 25.0 113.664 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.7 pt -136.98 162.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.4 t -79.65 151.74 30.38 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.245 -0.91 . . . . 25.0 109.021 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.63 69.35 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.72 83.77 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 110.313 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -76.14 -32.4 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 141' ' ' PHE . 58.7 tp -62.38 -47.79 82.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.2 mmm-85 -64.74 -30.08 71.08 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.987 -0.445 . . . . 25.0 110.955 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.119 -0.326 . . . . 25.0 110.119 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.88 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -44.46 96.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.8 t -71.21 -26.71 63.06 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.583 -0.698 . . . . 25.0 110.49 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -72.31 -31.62 65.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.976 -0.452 . . . . 25.0 110.662 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.72 -19.01 61.47 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.94 114.66 2.12 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.393 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.13 87.24 0.77 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.58 0.705 . . . . 25.0 109.526 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -123.43 1.06 8.95 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.936 -0.575 . . . . 25.0 112.503 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.7 mt -127.9 167.5 16.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 -174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.19 148.89 48.09 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.306 0.379 . . . . 25.0 110.245 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.23 -47.19 87.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 25.0 110.095 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.43 -32.58 71.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.851 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -62.8 -29.35 70.65 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.732 0.813 . . . . 25.0 111.375 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.84 -42.58 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.933 0.873 . . . . 25.0 109.618 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -64.23 -32.06 73.5 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -174.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.42 -28.8 67.27 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.443 0.535 . . . . 25.0 112.443 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.0 mtm -76.67 -36.57 57.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.699 0.762 . . . . 25.0 109.375 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.72 -27.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -30.11 64.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.8 -27.65 17.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.438 0.637 . . . . 25.0 110.739 177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.27 90.22 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -151.49 -179.38 7.34 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.622 1.712 . . . . 25.0 115.622 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.41 136.16 43.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.932 -1.031 . . . . 25.0 109.225 -176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.24 -24.04 6.65 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 -177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -82.83 -22.08 58.47 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-O 119.611 -0.549 . . . . 25.0 114.062 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -106.81 -28.69 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.425 0.612 . . . . 25.0 111.963 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.65 16.08 28.61 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 118.702 2.241 . . . . 25.0 118.702 175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -117.73 137.16 52.88 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.136 1.468 . . . . 25.0 112.543 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.8 m -125.11 160.42 30.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -103.43 129.22 50.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 104.627 -2.36 . . . . 25.0 104.627 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -77.89 -24.01 48.58 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -172.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -65.76 -39.57 91.18 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 122.022 -0.424 . . . . 25.0 111.753 -176.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -84.22 -27.67 27.81 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.726 -0.608 . . . . 25.0 110.024 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.402 ' CE2' HD21 ' A' ' 105' ' ' LEU . 28.7 t80 -71.86 -36.41 70.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.938 -0.705 . . . . 25.0 111.502 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 p -68.02 -26.02 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.261 -1.014 . . . . 25.0 108.261 177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -76.16 -40.72 51.85 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 38.7 ttm -58.22 -48.38 80.56 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.473 0.309 . . . . 25.0 111.199 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.21 -4.25 13.36 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.7 t -126.48 14.23 7.63 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.784 -0.572 . . . . 25.0 111.808 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.02 149.68 47.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.575 0.226 . . . . 25.0 110.481 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mptt . . . . . 0 C--O 1.251 1.153 0 N-CA-C 103.956 -2.609 . . . . 25.0 103.956 177.397 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.81 54.93 10.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.797 1.406 . . . . 25.0 114.797 164.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.15 162.71 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.071 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.73 134.39 56.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -77.26 157.14 30.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.786 -0.643 . . . . 25.0 109.653 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 1.7 pm0 -62.7 -31.35 72.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.89 -48.96 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.091 -0.504 . . . . 25.0 111.39 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -75.17 -24.99 57.96 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.598 -0.841 . . . . 25.0 110.637 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.99 -34.05 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.35 87.17 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.978 -0.451 . . . . 25.0 109.835 176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.53 -43.02 77.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.011 0.369 . . . . 25.0 110.259 177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -56.38 -44.0 79.79 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.95 -45.09 83.04 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.923 -0.58 . . . . 25.0 112.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -77.94 -34.27 51.27 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.847 -0.533 . . . . 25.0 112.376 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -34.66 78.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -71.5 -45.89 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.358 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.2 m -64.97 -20.68 66.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.15 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.71 -22.45 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -116.92 -2.16 11.84 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.51 98.35 6.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -69.8 -27.0 64.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -109.77 -27.82 9.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -172.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.84 14.56 39.62 Favored Glycine 0 C--O 1.228 -0.231 0 N-CA-C 111.988 -0.445 . . . . 25.0 111.988 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -80.48 -7.23 59.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.895 0.378 . . . . 25.0 111.717 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.87 22.22 50.3 Favored Glycine 0 C--O 1.241 0.554 0 C-N-CA 121.301 -0.476 . . . . 25.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -131.56 162.85 29.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.462 0.649 . . . . 25.0 112.384 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 pt -134.09 167.15 26.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 174.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.3 p -88.47 167.48 13.41 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.545 -0.862 . . . . 25.0 108.676 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 p -58.48 -31.79 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.204 0.526 . . . . 25.0 110.886 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -65.87 -39.71 90.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.727 0.775 . . . . 25.0 110.619 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.56 -8.79 58.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.014 -0.994 . . . . 25.0 112.848 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.98 -46.4 71.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.073 0.463 . . . . 25.0 111.173 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.08 -36.88 91.28 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.668 -0.777 . . . . 25.0 112.551 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -38.67 82.89 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.429 -0.453 . . . . 25.0 112.021 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.64 -45.18 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.3 mtt -60.57 -43.16 97.59 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.232 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.31 -26.2 65.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -72.28 -22.19 61.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.812 0.339 . . . . 25.0 110.585 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.7 4.04 45.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.033 0.444 . . . . 25.0 109.808 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.88 1.28 90.21 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 121.258 -0.496 . . . . 25.0 112.644 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -84.95 135.23 34.13 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -106.29 92.29 6.66 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 121.074 0.464 . . . . 25.0 110.856 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.19 162.58 33.89 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 116.863 -1.624 . . . . 25.0 109.312 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 p -84.53 158.64 20.89 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.569 -1.641 . . . . 25.0 106.569 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.61 -30.36 69.07 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.51 -0.744 . . . . 25.0 110.435 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.97 84.06 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.027 0.441 . . . . 25.0 110.334 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.32 -46.43 89.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.05 -42.42 89.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.509 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -54.35 -53.05 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.512 0.196 . . . . 25.0 111.225 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.51 -35.99 78.26 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.653 -0.419 . . . . 25.0 111.817 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 mtt -64.71 -34.72 78.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.095 0.474 . . . . 25.0 110.118 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -70.82 -38.97 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 25.0 109.359 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.07 -37.78 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 117.917 0.326 . . . . 25.0 110.54 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.8 -38.31 87.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.629 -0.669 . . . . 25.0 111.289 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.95 -33.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 25.0 110.245 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.76 -28.89 67.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.069 0.461 . . . . 25.0 110.271 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.81 78.87 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.307 -0.406 . . . . 25.0 110.762 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.93 -25.28 40.55 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 122.104 0.954 . . . . 25.0 108.59 176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.23 82.11 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.223 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -71.1 -28.74 64.54 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.191 0.52 . . . . 25.0 112.398 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.96 -9.61 1.43 Allowed Glycine 0 C--O 1.246 0.895 0 N-CA-C 116.538 1.375 . . . . 25.0 116.538 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.7 p -132.75 165.79 23.72 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.694 0.747 . . . . 25.0 110.795 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.9 mt -134.6 125.02 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.75 168.67 18.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.45 0.643 . . . . 25.0 111.016 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.08 -47.78 96.08 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 114.302 1.223 . . . . 25.0 114.302 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -66.93 -25.4 44.93 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 113.069 -4.154 . . . . 25.0 113.605 178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.52 -31.4 63.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.863 -0.523 . . . . 25.0 109.846 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.16 -41.88 99.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.69 -33.64 76.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.8 m -65.05 -37.08 86.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.905 -0.406 . . . . 25.0 109.905 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.4 mmt -62.86 -37.76 88.12 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.63 -0.669 . . . . 25.0 109.779 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.8 mmt -67.41 -34.01 76.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.983 0.421 . . . . 25.0 110.877 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.62 -25.32 67.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -87.26 1.95 51.6 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 121.647 0.736 . . . . 25.0 111.739 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttp -89.93 9.0 29.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 25.0 109.885 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -80.46 72.64 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.703 0.763 . . . . 25.0 111.509 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -64.01 -2.07 1.79 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 117.79 2.515 . . . . 25.0 117.79 -175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 t -91.25 -22.89 20.36 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.729 -1.123 . . . . 25.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -96.02 0.36 51.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.3 t -44.8 -39.0 4.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 117.093 2.257 . . . . 25.0 117.093 -170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -61.59 -38.69 88.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.318 -0.864 . . . . 25.0 111.781 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.08 -26.83 18.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.977 -0.452 . . . . 25.0 110.394 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.98 -41.4 96.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.78 -38.94 83.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.16 -40.87 94.92 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.764 -0.585 . . . . 25.0 109.956 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.87 -39.35 90.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 25.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.48 81.25 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.819 0.342 . . . . 25.0 111.087 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.26 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.57 -19.37 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -104.9 9.72 34.58 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.988 0.423 . . . . 25.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -75.73 114.06 13.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.382 . . . . 25.0 110.169 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' HB2' HE22 ' A' ' 135' ' ' GLN . 1.5 ttpt -68.92 -44.7 72.55 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.079 1.511 . . . . 25.0 115.079 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -114.56 0.43 13.97 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -174.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.06 28.49 58.42 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 107.796 -2.122 . . . . 25.0 107.796 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -119.07 9.8 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.38 0.672 . . . . 25.0 112.673 -175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.05 7.59 85.17 Favored Glycine 0 C--O 1.235 0.181 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.05 132.25 49.45 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.311 1.055 . . . . 25.0 112.406 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 pt -125.32 157.16 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.1 t -71.86 150.88 43.84 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.518 -0.738 . . . . 25.0 110.104 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.84 77.61 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.107 0.479 . . . . 25.0 110.858 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -75.82 -35.78 59.9 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.924 -0.769 . . . . 25.0 108.924 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.62 -41.92 99.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -61.0 -39.15 88.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -62.66 -49.72 74.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.194 -0.299 . . . . 25.0 110.194 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.82 -39.06 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 117.971 0.351 . . . . 25.0 110.087 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -59.45 -41.01 88.65 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 121.92 -0.488 . . . . 25.0 110.788 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -69.71 -30.56 68.22 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.851 0.834 . . . . 25.0 110.303 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.63 -21.6 61.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.164 -0.471 . . . . 25.0 111.985 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -1.49 14.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.42 -174.41 44.65 Favored Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.65 -0.786 . . . . 25.0 112.85 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -137.45 148.08 45.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -134.21 151.11 51.15 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 104.16 -2.533 . . . . 25.0 104.16 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.64 -36.58 60.14 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.259 0.349 . . . . 25.0 111.933 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.87 35.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.362 -0.381 . . . . 25.0 111.506 -177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.51 62.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 175.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.9 -28.57 69.61 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.324 -0.853 . . . . 25.0 109.853 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.5 -25.6 65.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.681 0.753 . . . . 25.0 110.326 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.84 -42.52 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.72 -43.85 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.879 -0.6 . . . . 25.0 112.6 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -61.06 -30.11 70.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.033 0.444 . . . . 25.0 111.423 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.8 ttp -76.53 -39.24 53.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.98 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.17 -40.38 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 122.128 -0.358 . . . . 25.0 110.956 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -64.67 -10.63 28.33 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.867 1.802 . . . . 25.0 115.867 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.73 -31.39 63.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.334 0.587 . . . . 25.0 109.577 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.62 157.65 20.3 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.436 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.98 140.72 56.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -124.62 130.68 73.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.38 163.15 28.47 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 123.556 0.742 . . . . 25.0 111.407 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -59.04 -30.17 66.4 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 114.841 0.696 . . . . 25.0 114.841 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -80.28 7.06 10.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.108 0.954 . . . . 25.0 110.846 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.61 35.01 42.37 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 110.659 -0.976 . . . . 25.0 110.659 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.493 HE22 ' HB2' ' A' ' 94' ' ' LYS . 32.0 mt-30 -116.25 155.75 27.79 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.23 153.34 38.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 130.42 35.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -82.99 -26.0 31.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.438 1.644 . . . . 25.0 115.438 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -70.83 -37.22 73.18 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.331 0.969 . . . . 25.0 111.611 -175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -74.42 -33.81 63.07 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 177.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -42.43 79.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.319 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.84 -35.89 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 121.494 -0.754 . . . . 25.0 111.539 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -73.39 -29.3 62.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.705 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.1 ttp -63.97 -30.91 71.95 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.892 -0.505 . . . . 25.0 110.212 177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.3 mtt -63.29 -18.42 63.58 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.76 0.314 . . . . 25.0 111.785 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.1 p -104.58 -1.83 25.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.27 149.91 38.69 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.485 0.92 . . . . 25.0 113.485 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -80.2 95.96 6.43 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.367 -2.456 . . . . 25.0 104.367 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -156.14 163.15 39.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.435 -172.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mp -80.19 157.59 26.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.408 -1.33 . . . . 25.0 107.408 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.0 p -127.1 165.63 19.16 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 1.8 pm0 -61.36 -33.49 73.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.773 0.321 . . . . 25.0 110.252 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -63.07 -43.28 99.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.525 0.679 . . . . 25.0 109.492 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.64 -30.14 68.79 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.126 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.4 -37.29 77.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.01 90.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.03 -42.42 99.75 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.897 0.38 . . . . 25.0 110.609 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.02 -36.99 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -65.26 -43.6 90.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.98 -43.22 93.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.5 87.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.053 0.454 . . . . 25.0 111.724 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.291 0.567 . . . . 25.0 109.579 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -63.42 -20.39 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.371 0.878 . . . . 25.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.52 -24.78 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.023 0.379 . . . . 25.0 112.023 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -117.54 -1.56 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.0 1.111 . . . . 25.0 114.0 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -72.42 104.79 3.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.106 -1.813 . . . . 25.0 106.106 172.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -68.19 -33.99 75.45 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -116.44 -25.21 7.55 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 115.835 1.791 . . . . 25.0 115.835 -169.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.46 12.14 33.96 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.494 -0.643 . . . . 25.0 111.494 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.23 -7.85 59.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.963 0.411 . . . . 25.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.55 27.78 46.07 Favored Glycine 0 C--O 1.235 0.201 0 C-N-CA 121.085 -0.579 . . . . 25.0 112.289 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.6 p -131.55 158.47 40.88 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -137.06 175.07 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 174.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -98.79 163.84 12.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.7 p -56.11 -42.55 77.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.423 0.63 . . . . 25.0 110.691 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -63.72 -37.5 87.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.068 0.461 . . . . 25.0 111.826 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -75.45 -6.89 52.41 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.12 -40.44 73.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.457 0.646 . . . . 25.0 109.721 174.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.07 -33.1 86.33 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 111.419 -0.672 . . . . 25.0 111.419 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -37.63 73.46 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.241 -0.564 . . . . 25.0 111.253 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.97 -47.49 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 97.5 mmm -58.22 -44.36 88.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.406 0.622 . . . . 25.0 109.85 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.07 -37.18 71.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.687 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.7 p -73.84 -22.46 59.76 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.623 -0.431 . . . . 25.0 112.117 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.02 -4.6 50.89 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.71 -4.73 36.84 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 116.313 1.285 . . . . 25.0 116.313 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -133.31 123.13 24.9 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.558 1.179 . . . . 25.0 110.015 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -103.08 124.5 38.22 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 107.79 -1.189 . . . . 25.0 107.79 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.85 161.25 36.5 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 117.582 -1.145 . . . . 25.0 110.508 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -73.85 165.38 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -57.01 -33.49 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 25.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.05 57.48 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 116.503 -0.317 . . . . 25.0 111.08 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.31 -35.44 80.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 25.0 109.751 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.6 -48.8 73.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.845 -0.616 . . . . 25.0 109.48 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -63.87 -37.74 88.52 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.163 -0.215 . . . . 25.0 111.154 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -57.51 -39.32 76.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.834 0.35 . . . . 25.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.1 mtt -72.62 -37.62 68.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 25.0 111.052 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.52 -31.82 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.494 . . . . 25.0 110.84 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -55.32 -35.24 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.971 -0.456 . . . . 25.0 112.189 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.66 -28.24 68.31 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.569 -0.707 . . . . 25.0 111.139 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.67 -31.06 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.605 0.716 . . . . 25.0 110.676 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.5 -14.1 47.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.694 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.14 74.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.422 -0.354 . . . . 25.0 110.681 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -95.74 -26.96 15.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.929 0.871 . . . . 25.0 109.188 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.98 84.47 Favored Glycine 0 CA--C 1.517 0.21 0 CA-C-N 115.246 -0.888 . . . . 25.0 115.045 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -66.94 -25.97 66.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 117.686 0.743 . . . . 25.0 112.393 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.28 10.81 82.06 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 121.708 -0.282 . . . . 25.0 113.461 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.7 p -131.3 156.79 44.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.082 0.441 . . . . 25.0 110.779 -177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -135.75 122.5 33.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -83.26 174.27 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 122.106 0.955 . . . . 25.0 108.912 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.1 -48.73 87.54 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.69 -23.95 35.63 Favored 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 112.713 -4.391 . . . . 25.0 113.704 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -70.81 -37.93 73.26 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.618 -0.512 . . . . 25.0 109.618 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -59.77 -44.64 93.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.88 -37.16 83.87 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.119 -0.363 . . . . 25.0 110.672 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.8 m -64.6 -39.3 93.47 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 ttm -64.33 -38.97 92.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.904 0.383 . . . . 25.0 110.892 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 39.1 mmt -66.88 -28.99 68.78 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.815 0.817 . . . . 25.0 109.991 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.97 -7.8 59.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.414 1.086 . . . . 25.0 113.676 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.22 -35.38 62.36 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.83 -0.544 . . . . 25.0 111.363 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.01 -16.76 54.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.07 0.548 . . . . 25.0 112.448 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.0 ttp -112.98 6.04 17.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.373 0.669 . . . . 25.0 111.34 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -92.24 -34.5 14.24 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.899 1.444 . . . . 25.0 114.899 -174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.99 167.86 16.09 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -174.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.6 m -126.95 104.55 8.07 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.323 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -45.5 65.55 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.643 1.349 . . . . 25.0 114.643 -175.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -72.99 -38.33 66.67 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -95.07 -35.46 11.91 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 114.549 1.315 . . . . 25.0 114.549 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -90.18 -50.05 6.21 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -171.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.74 -39.37 91.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.24 -42.29 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 121.751 -0.593 . . . . 25.0 109.536 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -68.83 -39.6 79.89 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.193 -0.317 . . . . 25.0 111.13 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -75.76 -25.53 56.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.93 77.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.548 -0.72 . . . . 25.0 111.234 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -69.09 -28.42 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.284 0.564 . . . . 25.0 110.059 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.4 mtp85 -77.55 -10.38 59.46 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.41 -23.54 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -98.46 -4.99 33.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.048 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -74.98 151.21 38.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 104.311 -2.477 . . . . 25.0 104.311 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -49.91 4.62 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.863 1.06 . . . . 25.0 113.863 -174.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -128.94 10.95 6.0 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.12 0.486 . . . . 25.0 111.658 177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.88 21.47 36.19 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 108.155 -1.978 . . . . 25.0 108.155 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.65 -5.78 39.8 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.94 -3.25 85.92 Favored Glycine 0 N--CA 1.462 0.388 0 N-CA-C 117.323 1.689 . . . . 25.0 117.323 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -138.89 159.54 41.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.638 0.719 . . . . 25.0 110.913 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 pt -135.76 164.61 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 m -78.98 154.3 29.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.97 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.946 0.403 . . . . 25.0 110.876 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.08 95.53 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 109.809 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.46 -38.45 71.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.467 HD22 HG21 ' A' ' 136' ' ' VAL . 54.1 tp -60.4 -41.64 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -38.9 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -65.89 -48.45 71.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.345 -0.242 . . . . 25.0 110.345 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.96 -42.69 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.947 0.403 . . . . 25.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.4 mtt -63.24 -33.44 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.73 -0.606 . . . . 25.0 111.157 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.9 m -73.5 -35.46 65.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.651 -0.499 . . . . 25.0 109.651 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.91 -36.49 82.38 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.54 -0.541 . . . . 25.0 109.54 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.22 -34.39 78.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.394 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.37 146.44 5.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.667 -0.777 . . . . 25.0 113.425 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.88 159.39 32.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -134.75 156.87 48.07 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 105.943 -1.873 . . . . 25.0 105.943 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.66 -40.22 17.67 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.1 p -118.88 164.74 14.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.451 0.643 . . . . 25.0 109.854 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.68 -24.38 41.8 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.33 -35.08 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.324 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.3 -28.28 69.08 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.834 0.35 . . . . 25.0 111.434 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.67 -43.38 13.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -29.75 70.44 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.16 -38.18 79.12 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.148 0.499 . . . . 25.0 110.186 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtm -79.3 -27.83 42.2 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.068 -0.395 . . . . 25.0 111.038 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.95 -36.83 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -61.91 -34.52 76.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.383 -0.372 . . . . 25.0 111.289 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -83.04 -24.15 32.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.7 165.22 8.61 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.099 -0.955 . . . . 25.0 112.652 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -79.52 47.61 0.84 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.115 0.966 . . . . 25.0 112.727 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 43.0 pt -70.09 158.04 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 122.181 0.991 . . . . 25.0 113.513 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -149.69 178.12 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 104.138 -2.541 . . . . 25.0 104.138 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.4 -26.82 57.31 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 116.057 1.183 . . . . 25.0 116.057 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.98 -5.48 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.559 0.679 . . . . 25.0 112.256 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.54 38.89 86.93 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.781 -0.723 . . . . 25.0 114.142 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -118.03 153.62 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.467 HG21 HD22 ' A' ' 105' ' ' LEU . 13.5 m -145.03 150.65 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.639 0.776 . . . . 25.0 109.057 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.95 145.53 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -93.55 -23.51 18.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.66 -44.3 94.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 -173.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.14 -32.71 74.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.942 0.401 . . . . 25.0 109.996 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -69.37 -40.25 77.56 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.06 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.27 -47.1 93.72 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.69 -39.7 74.28 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.428 0.291 . . . . 25.0 110.977 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.08 -39.68 93.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.905 0.383 . . . . 25.0 111.799 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.5 mtt -82.31 -33.45 28.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 53.0 p -95.24 -10.5 30.19 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 58.07 30.26 19.02 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.873 0.869 . . . . 25.0 109.79 -173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.239 0.523 0 CA-C-O 117.771 -1.109 . . . . 25.0 112.181 -178.331 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.658 ' H ' ' HA ' ' A' ' 76' ' ' MET . 6.8 t0 -77.94 -8.82 58.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.285 0.634 . . . . 25.0 111.498 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 58.29 35.41 24.88 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.858 0.863 . . . . 25.0 109.661 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.74 134.8 56.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.347 -177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -114.97 165.72 12.57 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.85 -30.74 70.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.854 0.359 . . . . 25.0 111.246 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.61 -42.17 99.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 25.0 109.747 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -73.54 -30.38 63.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.105 -0.372 . . . . 25.0 110.346 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.44 -37.19 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.55 98.58 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.893 -0.505 . . . . 25.0 109.792 175.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.77 -39.92 93.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.97 0.35 . . . . 25.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.826 -0.546 . . . . 25.0 110.518 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.39 99.62 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 123.305 0.642 . . . . 25.0 110.797 -178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.29 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.874 0.368 . . . . 25.0 111.154 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.77 -45.56 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.631 0.729 . . . . 25.0 110.223 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -68.45 -22.06 64.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.523 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -25.64 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.75 0.278 . . . . 25.0 111.75 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -109.45 -4.45 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -78.52 104.13 8.93 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -69.36 -21.65 63.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.656 1.354 . . . . 25.0 114.656 -176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.23 -27.74 4.82 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.285 1.587 . . . . 25.0 115.285 -173.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 13.79 39.32 Favored Glycine 0 C--N 1.322 -0.248 0 C-N-CA 121.518 -0.373 . . . . 25.0 113.291 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -76.86 -11.74 59.86 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.948 0.404 . . . . 25.0 111.401 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.5 27.84 21.25 Favored Glycine 0 C--O 1.235 0.175 0 C-N-CA 121.445 -0.407 . . . . 25.0 113.409 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -134.59 149.89 50.65 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 pt -132.81 173.42 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 51.7 p -94.96 160.02 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -61.4 -30.48 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.676 0.751 . . . . 25.0 110.233 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -73.42 -31.35 63.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.999 -0.546 . . . . 25.0 110.232 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -80.13 -12.68 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.607 -0.269 . . . . 25.0 111.236 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.29 -39.47 69.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.926 0.393 . . . . 25.0 109.97 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.23 -42.28 99.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.495 -0.859 . . . . 25.0 111.732 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -41.83 67.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.464 -0.433 . . . . 25.0 111.674 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.25 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.8 tpt -62.45 -44.0 97.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -62.42 -22.68 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -64.57 -23.89 67.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.186 -0.321 . . . . 25.0 111.11 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.91 4.88 35.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.189 0.518 . . . . 25.0 110.768 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.08 5.8 82.72 Favored Glycine 0 C--O 1.229 -0.217 0 C-N-CA 121.425 -0.417 . . . . 25.0 113.917 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -130.29 130.91 45.11 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -135.77 148.18 64.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -77.48 174.12 13.18 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 110.104 -0.768 . . . . 25.0 110.104 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.4 p -71.21 163.89 26.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.16 -33.12 71.74 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.916 0.339 . . . . 25.0 111.916 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.35 -49.33 61.02 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.57 -33.19 74.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.266 0.555 . . . . 25.0 110.271 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.95 -41.61 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -68.22 -39.4 82.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -42.71 95.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.341 0.591 . . . . 25.0 109.902 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mtt -64.75 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.877 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.64 -43.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.11 -39.62 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 122.126 0.17 . . . . 25.0 111.284 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.41 -31.36 44.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.607 0.966 . . . . 25.0 113.607 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -14.79 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -176.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -19.23 65.77 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.21 -0.931 . . . . 25.0 110.67 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.28 -24.96 61.18 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.254 0.464 . . . . 25.0 112.254 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.2 -21.64 66.64 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 122.29 1.043 . . . . 25.0 111.869 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.71 5.98 88.38 Favored Glycine 0 C--O 1.229 -0.168 0 CA-C-N 113.649 -1.614 . . . . 25.0 112.555 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -105.3 -27.93 11.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.465 -0.939 . . . . 25.0 108.465 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 34.44 87.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.762 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 23.7 p -120.88 159.06 26.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 122.599 0.36 . . . . 25.0 111.071 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.92 119.93 39.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 104.401 -2.444 . . . . 25.0 104.401 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.64 173.92 8.74 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -62.16 -42.94 84.2 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.06 -26.94 50.2 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 112.805 -4.33 . . . . 25.0 114.108 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -72.59 -35.08 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.187 0.994 . . . . 25.0 109.055 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -66.14 -39.76 90.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.19 -38.31 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -67.07 -24.46 65.97 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.951 0.796 . . . . 25.0 111.01 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.2 ttm -63.62 -27.32 69.15 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.626 -0.672 . . . . 25.0 109.191 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.8 mmt -87.42 -32.82 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.89 76.7 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.279 0.562 . . . . 25.0 109.966 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -61.54 -34.8 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.809 -0.557 . . . . 25.0 110.792 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -72.38 -31.88 65.93 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.633 0.73 . . . . 25.0 109.322 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.658 ' HA ' ' H ' ' A' ' 2' ' ' ASP . 6.8 ttp -71.71 -17.99 62.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.087 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? 61.92 53.49 3.06 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.23 1.012 . . . . 25.0 109.768 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.65 82.91 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -60.64 -24.99 65.98 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.353 1.612 . . . . 25.0 115.353 -171.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.48 -35.47 77.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.698 0.285 . . . . 25.0 111.013 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -94.98 -47.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.353 0.872 . . . . 25.0 113.353 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.94 -45.86 7.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 117.224 2.305 . . . . 25.0 117.224 -173.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -91.94 -28.92 16.95 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 117.308 2.336 . . . . 25.0 117.308 -168.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.43 -38.33 80.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.484 1.038 . . . . 25.0 111.337 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.57 -42.63 96.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.447 0.641 . . . . 25.0 109.723 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -73.29 -35.99 66.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 25.0 110.856 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -28.08 69.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 122.646 0.378 . . . . 25.0 110.402 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.96 72.0 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.754 -0.591 . . . . 25.0 111.669 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.99 -23.07 28.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.11 0.481 . . . . 25.0 110.593 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 -67.63 -15.24 63.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.424 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.1 -25.4 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 174.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -104.38 4.42 33.41 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.61 129.16 39.73 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.091 0.472 . . . . 25.0 110.414 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -72.03 -42.92 65.77 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.858 1.059 . . . . 25.0 113.858 -174.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -128.83 -5.18 5.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.69 5.05 63.3 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.465 -0.398 . . . . 25.0 112.641 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -96.13 11.8 33.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.417 0.609 . . . . 25.0 112.293 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.87 16.09 56.87 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 120.855 -0.688 . . . . 25.0 114.345 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.27 142.69 50.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 pt -135.62 164.23 33.19 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.709 0 N-CA-C 104.89 -2.263 . . . . 25.0 104.89 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 p -81.83 162.95 22.65 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 120.759 -1.213 . . . . 25.0 108.363 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.92 -28.15 68.72 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.545 0.688 . . . . 25.0 109.289 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.53 80.05 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.08 -35.71 78.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.4 tp -58.58 -47.74 83.28 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -67.56 -35.98 80.07 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 119.832 -0.747 . . . . 25.0 110.447 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.22 -49.5 76.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.85 0.295 . . . . 25.0 110.216 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.3 -45.79 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ttm -61.32 -41.92 97.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 115' ' ' LYS . 6.9 t -78.08 -24.6 47.56 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 121.611 -0.681 . . . . 25.0 110.605 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -72.17 -31.77 66.25 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.1 -0.375 . . . . 25.0 110.721 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -95.5 -32.56 12.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.97 12.38 10.73 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 116.975 1.55 . . . . 25.0 116.975 -176.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 48.02 46.05 19.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' H ' ' HA ' ' A' ' 110' ' ' THR . 71.3 mmtt -55.97 115.94 2.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.59 -42.62 51.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 115.042 1.497 . . . . 25.0 115.042 -170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -118.87 156.62 29.16 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -67.63 -37.77 82.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.34 -30.8 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.57 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.73 -28.7 67.57 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.473 0.654 . . . . 25.0 111.044 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.01 -41.5 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 25.0 109.671 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.69 -44.16 77.11 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.01 -36.24 67.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 25.0 112.177 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 47.2 ttp -73.39 -38.68 65.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 25.0 110.677 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.27 -35.29 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.222 -0.445 . . . . 25.0 109.9 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -55.37 -32.01 62.23 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.94 -36.49 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.75 -19.52 35.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -136.94 163.96 29.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -174.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.3 21.15 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -61.14 99.74 0.1 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.791 1.775 . . . . 25.0 115.791 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -90.48 -0.23 76.53 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 115.295 0.878 . . . . 25.0 115.295 175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -106.69 -24.56 12.08 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.234 1.017 . . . . 25.0 112.236 -175.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.3 45.89 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.866 -0.607 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -117.79 130.57 56.38 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.302 0.551 . . . . 25.0 111.645 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.63 160.61 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.764 0.426 . . . . 25.0 109.979 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -96.41 152.41 18.63 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.979 -1.859 . . . . 25.0 105.979 176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -104.35 -5.98 21.24 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.5 -48.92 70.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.59 0.71 . . . . 25.0 110.498 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -68.89 -31.88 71.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.572 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -31.72 63.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.325 -0.55 . . . . 25.0 111.704 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.82 -46.57 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 122.071 -0.393 . . . . 25.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -31.82 70.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.3 ttp -70.07 -29.34 66.3 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.852 -0.53 . . . . 25.0 111.944 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.8 mtt -79.19 -4.18 49.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.364 0.875 . . . . 25.0 113.364 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.8 t -117.26 34.15 5.27 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.15 144.94 11.38 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.435 -1.257 . . . . 25.0 113.335 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.5 tttt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 113.845 -1.525 . . . . 25.0 112.34 -176.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.42 -169.11 2.99 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 -170.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -71.07 -18.41 62.55 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.84 131.85 39.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -72.26 154.32 41.05 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -63.67 -30.15 71.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.056 -0.403 . . . . 25.0 111.841 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -68.27 -36.34 79.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.254 -0.279 . . . . 25.0 110.55 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.71 -36.83 73.43 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.93 -37.1 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.12 93.62 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.277 -0.264 . . . . 25.0 110.947 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.01 -45.27 93.31 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -64.32 -40.21 95.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 25.0 109.828 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 17' ' ' SER . 4.1 tmtt? -61.74 -44.56 96.66 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.618 0.229 . . . . 25.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -68.74 -39.21 80.47 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.895 -0.722 . . . . 25.0 111.017 -178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.02 79.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.135 0.493 . . . . 25.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -69.62 -46.39 66.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.534 0.683 . . . . 25.0 109.312 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 23.0 t -66.99 -17.1 64.77 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.029 0.752 . . . . 25.0 113.029 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.66 -32.34 71.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.167 0.508 . . . . 25.0 109.713 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -105.62 -12.2 16.04 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.99 0.737 . . . . 25.0 112.99 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -81.71 81.83 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.402 1.096 . . . . 25.0 108.075 175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.92 -9.51 58.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.717 -1.129 . . . . 25.0 113.093 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -108.7 -27.45 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.57 16.56 42.26 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-N 115.619 -0.719 . . . . 25.0 112.039 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.14 -16.88 59.79 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.87 0.366 . . . . 25.0 111.814 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.79 17.17 73.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 121.257 -0.497 . . . . 25.0 112.173 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 52.5 p -132.7 165.16 25.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 25.0 111.39 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 pt -135.42 166.81 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 104.924 -2.25 . . . . 25.0 104.924 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -86.1 161.7 18.77 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 p -58.51 -38.47 77.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.403 0.621 . . . . 25.0 110.005 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.12 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.993 0.425 . . . . 25.0 111.616 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -80.91 -7.81 59.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 -176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.4 tp -54.79 -41.69 70.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.503 0.668 . . . . 25.0 109.93 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.34 -37.87 93.17 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.266 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -34.68 72.48 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.16 -0.612 . . . . 25.0 111.84 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.66 -47.63 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.58 -43.0 99.67 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.86 -0.336 . . . . 25.0 110.363 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -56.12 -36.16 67.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.72 0.295 . . . . 25.0 111.022 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -71.54 -22.11 61.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.56 0.49 56.29 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.44 -1.24 88.47 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 111.521 -0.631 . . . . 25.0 111.521 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -85.12 123.64 30.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.632 -1.247 . . . . 25.0 107.632 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.43 92.26 47.37 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.76 164.67 33.14 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 117.318 -1.321 . . . . 25.0 109.801 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -69.08 158.92 33.86 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -61.07 -33.22 72.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.77 76.96 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.277 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.64 -39.64 92.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.931 0.395 . . . . 25.0 110.471 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.41 -43.12 95.4 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.02 -49.35 76.4 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -58.42 -43.43 88.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.993 0.425 . . . . 25.0 111.697 -175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.6 mtm -68.1 -34.37 76.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.035 -0.416 . . . . 25.0 111.604 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.36 -43.2 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.695 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mm -56.31 -38.95 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -57.56 -30.41 65.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.93 -36.98 6.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.208 0.528 . . . . 25.0 111.107 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -25.73 66.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.138 -0.351 . . . . 25.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.28 79.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.639 0.257 . . . . 25.0 111.336 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.04 -19.23 51.92 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.34 7.23 76.74 Favored Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.88 1.112 . . . . 25.0 115.88 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.66 -28.22 64.63 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.269 1.035 . . . . 25.0 111.955 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.28 -3.81 3.1 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 116.969 1.548 . . . . 25.0 116.969 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.1 p -129.53 159.52 36.08 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.819 0.809 . . . . 25.0 110.628 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -133.04 126.25 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.042 -1.836 . . . . 25.0 106.042 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -82.61 173.57 11.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.01 0.909 . . . . 25.0 109.719 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -66.25 -46.43 61.27 Favored Pre-proline 0 C--N 1.319 -0.73 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -66.16 -24.72 51.28 Favored 'Trans proline' 0 C--N 1.355 0.883 1 C-N-CA 112.183 -4.745 . . . . 25.0 113.47 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -69.88 -36.23 75.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.893 -0.504 . . . . 25.0 110.331 178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -55.93 -38.96 70.98 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.341 0.591 . . . . 25.0 109.765 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -77.76 -36.1 50.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.222 -0.445 . . . . 25.0 110.624 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 m -64.27 -34.91 79.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.425 0.29 . . . . 25.0 111.307 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 29.8 mtt -58.3 -28.4 64.98 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.951 -0.468 . . . . 25.0 112.059 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.1 mtt -69.3 -28.55 66.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.12 -0.362 . . . . 25.0 111.115 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.1 63.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.632 -0.258 . . . . 25.0 111.621 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -59.16 -47.23 86.06 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.499 0.666 . . . . 25.0 110.872 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.1 0.76 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.0 ttt -85.99 -40.43 15.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.197 -0.315 . . . . 25.0 111.111 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -167.49 78.22 0.17 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.045 -0.354 . . . . 25.0 110.045 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.25 4.72 49.81 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.038 1.495 . . . . 25.0 115.038 -175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.9 p -94.82 125.29 39.38 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.186 -2.154 . . . . 25.0 105.186 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -95.37 -66.69 0.89 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 119.858 3.281 . . . . 25.0 119.858 -175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.1 t -103.57 -72.88 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 121.438 3.866 . . . . 25.0 121.438 169.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -100.25 -70.91 0.72 Allowed 'General case' 0 N--CA 1.478 0.952 1 N-CA-C 123.752 4.723 . . . . 25.0 123.752 -178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.99 -36.99 72.69 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 113.515 -1.675 . . . . 25.0 114.797 -162.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.1 -20.21 65.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.455 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.45 -45.76 77.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -69.72 -34.77 74.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.14 -0.689 . . . . 25.0 109.14 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -61.04 -33.45 73.31 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.903 0.382 . . . . 25.0 111.278 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.31 70.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.804 0.335 . . . . 25.0 111.572 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.04 -30.68 19.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.326 0.584 . . . . 25.0 109.855 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -63.57 -19.66 65.0 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.37 0.668 . . . . 25.0 112.478 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.4 -18.66 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 121.897 -0.502 . . . . 25.0 110.92 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -97.26 -10.9 24.85 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.831 -0.543 . . . . 25.0 112.372 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -86.55 89.37 7.89 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -69.99 -25.63 63.7 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.16 -6.9 14.52 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 -175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.22 30.08 38.8 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.911 -0.876 . . . . 25.0 110.911 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.32 -22.94 60.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.534 0.939 . . . . 25.0 113.534 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.94 0.72 74.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -138.93 155.19 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.414 -0.462 . . . . 25.0 111.201 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.3 pt -139.12 169.38 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -71.25 147.56 48.07 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.56 -26.0 68.36 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.82 84.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.267 0.556 . . . . 25.0 109.706 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.3 -36.92 69.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.21 -43.29 96.1 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -62.94 -38.41 90.93 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 122.365 -0.21 . . . . 25.0 110.44 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.68 -45.61 93.26 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.634 -0.426 . . . . 25.0 110.746 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.44 -40.57 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.0 mtt -57.85 -48.36 80.03 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.208 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.7 m -67.42 -38.59 84.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.889 0.376 . . . . 25.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -58.91 -43.32 91.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.439 0.638 . . . . 25.0 109.422 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -90.43 31.77 1.0 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.882 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.02 122.54 2.51 Favored Glycine 0 CA--C 1.517 0.187 0 N-CA-C 115.551 0.98 . . . . 25.0 115.551 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.52 175.35 5.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.251 0.548 . . . . 25.0 110.914 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -136.09 173.52 11.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 104.975 -2.232 . . . . 25.0 104.975 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -58.77 3.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.458 0.572 . . . . 25.0 110.091 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 80.5 p -118.41 161.64 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -65.73 -23.08 66.67 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.7 -35.49 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.315 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -69.49 -23.02 63.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.068 0.461 . . . . 25.0 110.884 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.16 -42.81 17.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.96 -38.25 85.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.147 -0.933 . . . . 25.0 111.72 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.31 -43.85 33.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.193 -0.912 . . . . 25.0 113.135 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.4 ttm -70.48 -39.78 74.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.58 0.705 . . . . 25.0 111.225 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -69.42 -36.98 74.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.685 -0.689 . . . . 25.0 109.779 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -59.47 -33.93 71.92 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 124.028 0.931 . . . . 25.0 113.227 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -15.37 59.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 -177.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.83 148.11 24.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.923 0.392 . . . . 25.0 110.208 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -77.85 82.41 4.23 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.0 mm -76.88 116.18 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.75 168.18 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.03 58.17 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 115.34 0.896 . . . . 25.0 115.34 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -22.52 64.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.187 0.518 . . . . 25.0 110.649 177.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 69.75 23.3 76.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.152 -0.546 . . . . 25.0 113.408 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -117.62 147.37 42.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -139.61 148.04 23.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.019 0.438 . . . . 25.0 111.797 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -78.14 100.13 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -68.17 -33.37 74.34 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 116.458 2.021 . . . . 25.0 116.458 -170.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.3 -42.86 99.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.664 1.12 . . . . 25.0 112.708 -174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -67.17 -35.44 79.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.81 -38.37 73.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.977 0.418 . . . . 25.0 110.984 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.44 -43.08 91.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -61.17 -44.69 96.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.9 ttm -61.06 -41.5 96.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.4 ptp -79.03 -26.52 43.19 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.075 -0.65 . . . . 25.0 110.979 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m 57.7 38.04 27.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.548 1.166 . . . . 25.0 108.724 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -152.7 176.08 12.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.0 -1.455 . . . . 25.0 109.485 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.475 0.811 0 O-C-N 124.968 1.418 . . . . 25.0 109.521 -178.886 . . . . . . . . 0 0 . 1 stop_ save_