data_5ujl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5ujl _Structure_validation_residue.Date_analyzed 2017-10-20 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.617 ' H3 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.617 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.492 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.521 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 1.076 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 1.076 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.787 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.65 123.75 32.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.807 -1.183 . . . . 0.0 113.743 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -120.61 159.84 21.86 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-O 122.395 1.093 . . . . 0.0 110.441 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -112.57 95.95 5.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.201 -0.937 . . . . 0.0 109.089 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.37 100.47 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 O-C-N 119.503 -1.998 . . . . 0.0 108.371 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -85.06 159.04 20.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.174 -2.204 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -99.56 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 152.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.5 -34.52 78.4 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 122.934 1.349 . . . . 0.0 110.65 170.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -74.43 56.52 0.67 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 126.422 1.889 . . . . 0.0 113.748 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.41 -55.14 4.96 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 119.982 -1.699 . . . . 0.0 116.563 168.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.35 141.84 40.34 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.811 2.044 . . . . 0.0 115.079 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -119.65 119.1 32.74 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 120.035 -1.666 . . . . 0.0 107.032 168.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.43 97.1 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.6 m -81.5 115.12 20.66 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.233 -1.542 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.8 137.19 55.0 Favored 'General case' 0 CA--C 1.515 -0.391 0 O-C-N 121.278 -0.889 . . . . 0.0 111.677 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.88 106.17 15.35 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 163.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.29 164.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-O 122.913 1.34 . . . . 0.0 111.676 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -93.7 163.33 24.59 Favored Pre-proline 0 N--CA 1.439 -1.005 0 C-N-CA 125.901 1.681 . . . . 0.0 111.338 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.37 -15.18 20.09 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.78 1.653 . . . . 0.0 111.514 163.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -13.89 38.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 127.58 2.352 . . . . 0.0 113.382 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.447 ' CG ' ' HZ2' ' B' ' 29' ' ' LYS . 1.1 m-20 -55.17 118.39 4.32 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.831 1.252 . . . . 0.0 114.28 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -84.39 170.21 13.8 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 162.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.43 -42.07 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 119.615 -1.928 . . . . 0.0 112.543 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.86 -25.83 66.95 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.277 -1.514 . . . . 0.0 114.318 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -71.46 -42.55 68.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.314 -1.491 . . . . 0.0 110.668 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.8 -44.61 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.344 -1.473 . . . . 0.0 111.874 168.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.77 -38.01 74.7 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.985 -1.697 . . . . 0.0 113.779 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.0 93.0 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.617 -1.302 . . . . 0.0 113.13 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HZ2' ' CG ' ' B' ' 21' ' ' ASP . 87.3 mttt -68.99 -30.77 69.25 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.774 -1.204 . . . . 0.0 112.82 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -71.64 -34.5 52.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 119.596 -1.94 . . . . 0.0 111.642 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -62.54 -46.89 86.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.204 -1.56 . . . . 0.0 113.049 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.89 -63.83 1.02 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.321 1.848 . . . . 0.0 111.631 168.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -54.98 25.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.03 0.03 14.89 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.763 -1.835 . . . . 0.0 114.061 -171.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.59 21.17 58.62 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 120.425 -1.422 . . . . 0.0 116.588 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mt -103.41 118.92 56.54 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 120.476 -1.603 . . . . 0.0 111.764 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -67.93 167.0 22.71 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 CA-C-N 123.717 2.363 . . . . 0.0 115.224 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.59 -73.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.919 2.413 . . . . 0.0 118.088 -166.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.75 13.64 0.79 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.768 2.077 . . . . 0.0 113.745 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.22 -24.03 32.53 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.307 -2.121 . . . . 0.0 110.633 162.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.31 142.59 27.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.43 1.492 . . . . 0.0 112.279 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -132.26 115.16 15.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.917 -1.114 . . . . 0.0 110.024 168.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.15 129.37 34.87 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.642 -1.286 . . . . 0.0 112.18 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -106.56 131.4 56.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 126.793 2.037 . . . . 0.0 109.178 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.58 123.03 49.0 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 165.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 -88.45 0.02 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.93 13.07 3.12 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 121.084 -1.01 . . . . 0.0 112.526 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.424 ' HZ1' ' CD ' ' B' ' 51' ' ' GLU . 41.2 tttm -105.79 132.76 51.52 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.782 -1.423 . . . . 0.0 109.648 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.58 140.39 34.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.819 -1.176 . . . . 0.0 110.375 168.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.4 151.85 23.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.924 -1.11 . . . . 0.0 112.904 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.424 ' CD ' ' HZ1' ' B' ' 48' ' ' LYS . 15.8 mp0 -80.25 164.65 23.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 163.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.34 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.187 2.195 . . . . 0.0 115.934 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.44 42.35 1.23 Allowed Glycine 0 C--N 1.356 1.663 0 O-C-N 120.226 -1.546 . . . . 0.0 116.418 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.29 148.79 33.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.565 1.946 . . . . 0.0 106.856 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 48.2 p -91.69 164.06 13.87 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.096 1.427 . . . . 0.0 113.291 -172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.58 -30.66 70.82 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.524 -1.985 . . . . 0.0 112.9 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.09 -45.24 86.01 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.905 -1.122 . . . . 0.0 113.835 171.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.6 -52.05 61.05 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.488 1.915 . . . . 0.0 112.337 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.65 -9.0 57.57 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 119.507 -1.995 . . . . 0.0 116.04 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 t30 60.24 41.67 16.32 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.584 1.554 . . . . 0.0 113.183 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.75 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -96.15 -161.88 0.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.81 -1.181 . . . . 0.0 110.933 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.43 48.37 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 120.067 -1.646 . . . . 0.0 113.996 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 67.1 2.62 2.83 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 126.876 2.07 . . . . 0.0 114.941 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -64.96 124.63 22.56 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 119.743 -1.848 . . . . 0.0 113.515 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -90.21 114.61 26.63 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 121.246 -0.908 . . . . 0.0 110.065 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 mt -99.58 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.56 27.89 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 122.223 1.011 . . . . 0.0 110.047 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -91.99 125.55 36.73 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 126.442 1.897 . . . . 0.0 110.561 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.31 170.62 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.6 mt -122.49 121.35 36.36 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.972 -1.08 . . . . 0.0 110.74 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 124.26 1.024 . . . . 0.0 110.603 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.617 ' H3 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.617 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.492 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.521 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.507 ' CB ' ' HA ' ' A' ' 40' ' ' GLN . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.791 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.66 123.76 32.2 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.808 -1.183 . . . . 0.0 113.752 -165.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.6 159.8 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 122.391 1.091 . . . . 0.0 110.479 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -112.54 95.91 5.7 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.157 -0.964 . . . . 0.0 109.089 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.41 100.44 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 119.491 -2.006 . . . . 0.0 108.346 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -84.99 159.02 20.33 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 119.171 -2.206 . . . . 0.0 111.136 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.2 p -99.57 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 152.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.48 -34.47 78.3 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.896 1.332 . . . . 0.0 110.705 170.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -74.37 56.44 0.65 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 126.417 1.887 . . . . 0.0 113.77 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.46 -55.16 4.96 Favored Glycine 0 C--N 1.346 1.121 0 O-C-N 119.991 -1.693 . . . . 0.0 116.519 168.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.41 141.82 40.72 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.858 2.063 . . . . 0.0 115.075 -167.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -119.67 119.01 32.46 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.081 -1.637 . . . . 0.0 107.07 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.38 97.11 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -81.49 115.1 20.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 120.307 -1.496 . . . . 0.0 110.545 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.81 137.26 54.98 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 121.268 -0.895 . . . . 0.0 111.631 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.97 106.2 15.45 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 163.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.3 164.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 122.858 1.313 . . . . 0.0 111.701 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.79 163.35 24.35 Favored Pre-proline 0 N--CA 1.439 -0.981 0 C-N-CA 125.91 1.684 . . . . 0.0 111.31 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 -15.14 19.91 Favored 'Trans proline' 0 C--N 1.331 -0.362 0 C-N-CA 121.759 1.64 . . . . 0.0 111.508 163.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -13.84 38.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 127.602 2.361 . . . . 0.0 113.432 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.425 ' CG ' ' HZ2' ' B' ' 29' ' ' LYS . 1.1 m-20 -55.22 118.34 4.29 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 124.818 1.247 . . . . 0.0 114.271 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -84.39 170.17 13.85 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.38 -42.07 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 O-C-N 119.646 -1.909 . . . . 0.0 112.525 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 120.19 -1.569 . . . . 0.0 114.308 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -71.42 -42.61 68.08 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.308 -1.495 . . . . 0.0 110.692 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.74 -44.63 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.309 -1.494 . . . . 0.0 111.871 168.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.82 -37.94 74.69 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.968 -1.708 . . . . 0.0 113.752 172.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.0 93.0 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.64 -1.287 . . . . 0.0 113.094 172.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' B' ' 21' ' ' ASP . 87.2 mttt -69.02 -30.71 69.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.759 -1.213 . . . . 0.0 112.806 172.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -71.67 -34.49 52.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.631 -1.918 . . . . 0.0 111.62 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.5 -46.97 86.01 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.221 -1.55 . . . . 0.0 113.054 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.82 -63.81 1.03 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.244 1.817 . . . . 0.0 111.665 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -54.97 25.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.01 0.0 14.89 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.797 -1.815 . . . . 0.0 114.055 -171.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.68 21.23 58.34 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.429 -1.42 . . . . 0.0 116.495 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -103.5 118.98 56.3 Favored Pre-proline 0 CA--C 1.538 0.512 0 O-C-N 120.518 -1.577 . . . . 0.0 111.723 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -67.92 167.01 22.67 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 123.71 2.361 . . . . 0.0 115.232 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -60.54 -73.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.956 2.438 . . . . 0.0 118.09 -166.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.74 13.66 0.78 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.676 2.035 . . . . 0.0 113.734 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.2 -24.1 32.56 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.339 -2.1 . . . . 0.0 110.637 162.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.3 142.65 27.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.383 1.473 . . . . 0.0 112.29 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.3 115.2 15.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.878 -1.139 . . . . 0.0 110.015 168.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.26 129.4 34.86 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.687 -1.258 . . . . 0.0 112.142 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.56 131.26 56.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 126.841 2.057 . . . . 0.0 109.204 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.49 123.04 49.08 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 165.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.93 -88.4 0.02 OUTLIER 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.17 1.388 . . . . 0.0 113.452 -171.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -140.0 13.12 3.1 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 121.102 -0.999 . . . . 0.0 112.491 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.86 132.77 51.56 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.772 -1.428 . . . . 0.0 109.604 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 140.36 34.54 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.808 -1.182 . . . . 0.0 110.399 168.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.45 151.91 23.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.919 -1.113 . . . . 0.0 112.843 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -80.29 164.61 23.05 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 163.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.38 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 127.121 2.168 . . . . 0.0 115.959 -172.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.38 42.31 1.21 Allowed Glycine 0 C--N 1.355 1.613 0 O-C-N 120.208 -1.558 . . . . 0.0 116.395 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.23 148.76 33.43 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 126.564 1.946 . . . . 0.0 106.885 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -91.67 164.03 13.88 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 123.096 1.427 . . . . 0.0 113.286 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.54 -30.72 70.83 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.562 -1.961 . . . . 0.0 112.952 168.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.03 -45.19 86.51 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.853 -1.154 . . . . 0.0 113.851 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.67 -52.0 61.37 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.496 1.919 . . . . 0.0 112.301 171.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -71.68 -9.0 57.59 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.495 -2.003 . . . . 0.0 115.988 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.6 t30 60.16 41.74 16.46 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.624 1.57 . . . . 0.0 113.206 -170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.77 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -96.19 -161.82 0.9 Allowed 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.794 -1.191 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.42 48.39 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 120.074 -1.642 . . . . 0.0 114.023 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.25 5.0 mp0 67.13 2.57 2.82 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.942 2.097 . . . . 0.0 114.951 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -64.95 124.67 22.65 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.759 -1.838 . . . . 0.0 113.52 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.4 m -90.19 114.62 26.64 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.215 -0.928 . . . . 0.0 110.032 174.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 mt -99.64 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.53 27.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.177 0.989 . . . . 0.0 110.049 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -91.96 125.61 36.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.451 1.9 . . . . 0.0 110.549 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.32 170.68 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 168.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.7 mt -122.51 121.35 36.34 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 121.018 -1.051 . . . . 0.0 110.7 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.206 1.002 . . . . 0.0 110.559 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.617 ' H3 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.617 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.492 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.529 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.521 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 1.076 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 1.076 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.787 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.65 123.75 32.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.807 -1.183 . . . . 0.0 113.743 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -120.61 159.84 21.86 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-O 122.395 1.093 . . . . 0.0 110.441 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -112.57 95.95 5.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.201 -0.937 . . . . 0.0 109.089 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.37 100.47 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 O-C-N 119.503 -1.998 . . . . 0.0 108.371 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -85.06 159.04 20.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.174 -2.204 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -99.56 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 152.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.5 -34.52 78.4 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 122.934 1.349 . . . . 0.0 110.65 170.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -74.43 56.52 0.67 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 126.422 1.889 . . . . 0.0 113.748 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.41 -55.14 4.96 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 119.982 -1.699 . . . . 0.0 116.563 168.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.35 141.84 40.34 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.811 2.044 . . . . 0.0 115.079 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -119.65 119.1 32.74 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 120.035 -1.666 . . . . 0.0 107.032 168.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.43 97.1 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.6 m -81.5 115.12 20.66 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.233 -1.542 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.8 137.19 55.0 Favored 'General case' 0 CA--C 1.515 -0.391 0 O-C-N 121.278 -0.889 . . . . 0.0 111.677 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.88 106.17 15.35 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 163.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.29 164.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-O 122.913 1.34 . . . . 0.0 111.676 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -93.7 163.33 24.59 Favored Pre-proline 0 N--CA 1.439 -1.005 0 C-N-CA 125.901 1.681 . . . . 0.0 111.338 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.37 -15.18 20.09 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.78 1.653 . . . . 0.0 111.514 163.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -13.89 38.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 127.58 2.352 . . . . 0.0 113.382 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.447 ' CG ' ' HZ2' ' B' ' 29' ' ' LYS . 1.1 m-20 -55.17 118.39 4.32 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.831 1.252 . . . . 0.0 114.28 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -84.39 170.21 13.8 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 162.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.43 -42.07 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 119.615 -1.928 . . . . 0.0 112.543 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.86 -25.83 66.95 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.277 -1.514 . . . . 0.0 114.318 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -71.46 -42.55 68.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.314 -1.491 . . . . 0.0 110.668 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.8 -44.61 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.344 -1.473 . . . . 0.0 111.874 168.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.77 -38.01 74.7 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.985 -1.697 . . . . 0.0 113.779 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.0 93.0 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.617 -1.302 . . . . 0.0 113.13 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HZ2' ' CG ' ' B' ' 21' ' ' ASP . 87.3 mttt -68.99 -30.77 69.25 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.774 -1.204 . . . . 0.0 112.82 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -71.64 -34.5 52.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 119.596 -1.94 . . . . 0.0 111.642 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -62.54 -46.89 86.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.204 -1.56 . . . . 0.0 113.049 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.89 -63.83 1.02 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.321 1.848 . . . . 0.0 111.631 168.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -54.98 25.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -175.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.03 0.03 14.89 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.763 -1.835 . . . . 0.0 114.061 -171.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.59 21.17 58.62 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 120.425 -1.422 . . . . 0.0 116.588 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mt -103.41 118.92 56.54 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 120.476 -1.603 . . . . 0.0 111.764 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -67.93 167.0 22.71 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 CA-C-N 123.717 2.363 . . . . 0.0 115.224 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.59 -73.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.919 2.413 . . . . 0.0 118.088 -166.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.75 13.64 0.79 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.768 2.077 . . . . 0.0 113.745 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.22 -24.03 32.53 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.307 -2.121 . . . . 0.0 110.633 162.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.31 142.59 27.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.43 1.492 . . . . 0.0 112.279 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -132.26 115.16 15.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.917 -1.114 . . . . 0.0 110.024 168.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.15 129.37 34.87 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.642 -1.286 . . . . 0.0 112.18 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -106.56 131.4 56.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 126.793 2.037 . . . . 0.0 109.178 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.58 123.03 49.0 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 165.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 -88.45 0.02 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.93 13.07 3.12 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 121.084 -1.01 . . . . 0.0 112.526 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.424 ' HZ1' ' CD ' ' B' ' 51' ' ' GLU . 41.2 tttm -105.79 132.76 51.52 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.782 -1.423 . . . . 0.0 109.648 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.58 140.39 34.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.819 -1.176 . . . . 0.0 110.375 168.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.4 151.85 23.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.924 -1.11 . . . . 0.0 112.904 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' CD ' ' HZ1' ' B' ' 48' ' ' LYS . 15.8 mp0 -80.25 164.65 23.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 163.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.34 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.187 2.195 . . . . 0.0 115.934 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.44 42.35 1.23 Allowed Glycine 0 C--N 1.356 1.663 0 O-C-N 120.226 -1.546 . . . . 0.0 116.418 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.29 148.79 33.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.565 1.946 . . . . 0.0 106.856 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 48.2 p -91.69 164.06 13.87 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.096 1.427 . . . . 0.0 113.291 -172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.58 -30.66 70.82 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.524 -1.985 . . . . 0.0 112.9 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.09 -45.24 86.01 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.905 -1.122 . . . . 0.0 113.835 171.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.6 -52.05 61.05 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.488 1.915 . . . . 0.0 112.337 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.65 -9.0 57.57 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 119.507 -1.995 . . . . 0.0 116.04 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 t30 60.24 41.67 16.32 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.584 1.554 . . . . 0.0 113.183 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.75 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -96.15 -161.88 0.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.81 -1.181 . . . . 0.0 110.933 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.43 48.37 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 120.067 -1.646 . . . . 0.0 113.996 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 67.1 2.62 2.83 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 126.876 2.07 . . . . 0.0 114.941 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -64.96 124.63 22.56 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 119.743 -1.848 . . . . 0.0 113.515 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -90.21 114.61 26.63 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 121.246 -0.908 . . . . 0.0 110.065 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 mt -99.58 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 171.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.56 27.89 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 122.223 1.011 . . . . 0.0 110.047 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -91.99 125.55 36.73 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 126.442 1.897 . . . . 0.0 110.561 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.31 170.62 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.6 mt -122.49 121.35 36.36 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.972 -1.08 . . . . 0.0 110.74 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 124.26 1.024 . . . . 0.0 110.603 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.617 ' H3 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.617 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.492 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.521 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.507 ' CB ' ' HA ' ' A' ' 40' ' ' GLN . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.791 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.66 123.76 32.2 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.808 -1.183 . . . . 0.0 113.752 -165.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.6 159.8 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 122.391 1.091 . . . . 0.0 110.479 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -112.54 95.91 5.7 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.157 -0.964 . . . . 0.0 109.089 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.41 100.44 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 119.491 -2.006 . . . . 0.0 108.346 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -84.99 159.02 20.33 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 119.171 -2.206 . . . . 0.0 111.136 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.2 p -99.57 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 152.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.48 -34.47 78.3 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.896 1.332 . . . . 0.0 110.705 170.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -74.37 56.44 0.65 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 126.417 1.887 . . . . 0.0 113.77 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.46 -55.16 4.96 Favored Glycine 0 C--N 1.346 1.121 0 O-C-N 119.991 -1.693 . . . . 0.0 116.519 168.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.41 141.82 40.72 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.858 2.063 . . . . 0.0 115.075 -167.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -119.67 119.01 32.46 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.081 -1.637 . . . . 0.0 107.07 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.38 97.11 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -81.49 115.1 20.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 120.307 -1.496 . . . . 0.0 110.545 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.81 137.26 54.98 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 121.268 -0.895 . . . . 0.0 111.631 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.97 106.2 15.45 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 163.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.3 164.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 122.858 1.313 . . . . 0.0 111.701 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.79 163.35 24.35 Favored Pre-proline 0 N--CA 1.439 -0.981 0 C-N-CA 125.91 1.684 . . . . 0.0 111.31 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 -15.14 19.91 Favored 'Trans proline' 0 C--N 1.331 -0.362 0 C-N-CA 121.759 1.64 . . . . 0.0 111.508 163.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -13.84 38.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 127.602 2.361 . . . . 0.0 113.432 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.425 ' CG ' ' HZ2' ' B' ' 29' ' ' LYS . 1.1 m-20 -55.22 118.34 4.29 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 124.818 1.247 . . . . 0.0 114.271 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -84.39 170.17 13.85 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.38 -42.07 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 O-C-N 119.646 -1.909 . . . . 0.0 112.525 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 120.19 -1.569 . . . . 0.0 114.308 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -71.42 -42.61 68.08 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.308 -1.495 . . . . 0.0 110.692 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.74 -44.63 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.309 -1.494 . . . . 0.0 111.871 168.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.82 -37.94 74.69 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.968 -1.708 . . . . 0.0 113.752 172.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.0 93.0 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.64 -1.287 . . . . 0.0 113.094 172.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' B' ' 21' ' ' ASP . 87.2 mttt -69.02 -30.71 69.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.759 -1.213 . . . . 0.0 112.806 172.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -71.67 -34.49 52.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.631 -1.918 . . . . 0.0 111.62 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.5 -46.97 86.01 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.221 -1.55 . . . . 0.0 113.054 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.82 -63.81 1.03 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.244 1.817 . . . . 0.0 111.665 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -54.97 25.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.01 0.0 14.89 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.797 -1.815 . . . . 0.0 114.055 -171.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.68 21.23 58.34 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.429 -1.42 . . . . 0.0 116.495 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -103.5 118.98 56.3 Favored Pre-proline 0 CA--C 1.538 0.512 0 O-C-N 120.518 -1.577 . . . . 0.0 111.723 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -67.92 167.01 22.67 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 123.71 2.361 . . . . 0.0 115.232 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -60.54 -73.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.956 2.438 . . . . 0.0 118.09 -166.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.74 13.66 0.78 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.676 2.035 . . . . 0.0 113.734 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.2 -24.1 32.56 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.339 -2.1 . . . . 0.0 110.637 162.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.3 142.65 27.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.383 1.473 . . . . 0.0 112.29 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.3 115.2 15.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.878 -1.139 . . . . 0.0 110.015 168.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.26 129.4 34.86 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.687 -1.258 . . . . 0.0 112.142 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.56 131.26 56.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 126.841 2.057 . . . . 0.0 109.204 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.49 123.04 49.08 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 165.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.93 -88.4 0.02 OUTLIER 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.17 1.388 . . . . 0.0 113.452 -171.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -140.0 13.12 3.1 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 121.102 -0.999 . . . . 0.0 112.491 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.86 132.77 51.56 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.772 -1.428 . . . . 0.0 109.604 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 140.36 34.54 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.808 -1.182 . . . . 0.0 110.399 168.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.45 151.91 23.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.919 -1.113 . . . . 0.0 112.843 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -80.29 164.61 23.05 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 163.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.38 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 127.121 2.168 . . . . 0.0 115.959 -172.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.38 42.31 1.21 Allowed Glycine 0 C--N 1.355 1.613 0 O-C-N 120.208 -1.558 . . . . 0.0 116.395 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.23 148.76 33.43 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 126.564 1.946 . . . . 0.0 106.885 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -91.67 164.03 13.88 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 123.096 1.427 . . . . 0.0 113.286 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.54 -30.72 70.83 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.562 -1.961 . . . . 0.0 112.952 168.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.03 -45.19 86.51 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.853 -1.154 . . . . 0.0 113.851 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.67 -52.0 61.37 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.496 1.919 . . . . 0.0 112.301 171.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -71.68 -9.0 57.59 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.495 -2.003 . . . . 0.0 115.988 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.6 t30 60.16 41.74 16.46 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.624 1.57 . . . . 0.0 113.206 -170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.77 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -96.19 -161.82 0.9 Allowed 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.794 -1.191 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.42 48.39 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 120.074 -1.642 . . . . 0.0 114.023 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.25 5.0 mp0 67.13 2.57 2.82 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.942 2.097 . . . . 0.0 114.951 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -64.95 124.67 22.65 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.759 -1.838 . . . . 0.0 113.52 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.4 m -90.19 114.62 26.64 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.215 -0.928 . . . . 0.0 110.032 174.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 mt -99.64 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.53 27.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.177 0.989 . . . . 0.0 110.049 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -91.96 125.61 36.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.451 1.9 . . . . 0.0 110.549 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.32 170.68 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 168.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.7 mt -122.51 121.35 36.34 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 121.018 -1.051 . . . . 0.0 110.7 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.206 1.002 . . . . 0.0 110.559 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.039 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 1.039 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.787 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.65 123.75 32.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.807 -1.183 . . . . 0.0 113.743 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -120.61 159.84 21.86 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-O 122.395 1.093 . . . . 0.0 110.441 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -112.57 95.95 5.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.201 -0.937 . . . . 0.0 109.089 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.37 100.47 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 O-C-N 119.503 -1.998 . . . . 0.0 108.371 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -85.06 159.04 20.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.174 -2.204 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -99.56 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 152.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.5 -34.52 78.4 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 122.934 1.349 . . . . 0.0 110.65 170.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -74.43 56.52 0.67 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 126.422 1.889 . . . . 0.0 113.748 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.41 -55.14 4.96 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 119.982 -1.699 . . . . 0.0 116.563 168.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.35 141.84 40.34 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.811 2.044 . . . . 0.0 115.079 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -119.65 119.1 32.74 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 120.035 -1.666 . . . . 0.0 107.032 168.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.43 97.1 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.6 m -81.5 115.12 20.66 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.233 -1.542 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.8 137.19 55.0 Favored 'General case' 0 CA--C 1.515 -0.391 0 O-C-N 121.278 -0.889 . . . . 0.0 111.677 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.88 106.17 15.35 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 163.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.29 164.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-O 122.913 1.34 . . . . 0.0 111.676 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -93.7 163.33 24.59 Favored Pre-proline 0 N--CA 1.439 -1.005 0 C-N-CA 125.901 1.681 . . . . 0.0 111.338 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.37 -15.18 20.09 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.78 1.653 . . . . 0.0 111.514 163.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -13.89 38.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 127.58 2.352 . . . . 0.0 113.382 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.17 118.39 4.32 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.831 1.252 . . . . 0.0 114.28 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -84.39 170.21 13.8 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 162.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.43 -42.07 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 119.615 -1.928 . . . . 0.0 112.543 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.86 -25.83 66.95 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.277 -1.514 . . . . 0.0 114.318 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -71.46 -42.55 68.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.314 -1.491 . . . . 0.0 110.668 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.8 -44.61 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.344 -1.473 . . . . 0.0 111.874 168.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.77 -38.01 74.7 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.985 -1.697 . . . . 0.0 113.779 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.0 93.0 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.617 -1.302 . . . . 0.0 113.13 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -68.99 -30.77 69.25 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.774 -1.204 . . . . 0.0 112.82 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -71.64 -34.5 52.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 119.596 -1.94 . . . . 0.0 111.642 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -62.54 -46.89 86.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.204 -1.56 . . . . 0.0 113.049 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.89 -63.83 1.02 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.321 1.848 . . . . 0.0 111.631 168.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -54.98 25.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -175.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.03 0.03 14.89 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.763 -1.835 . . . . 0.0 114.061 -171.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.59 21.17 58.62 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 120.425 -1.422 . . . . 0.0 116.588 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mt -103.41 118.92 56.54 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 120.476 -1.603 . . . . 0.0 111.764 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -67.93 167.0 22.71 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 CA-C-N 123.717 2.363 . . . . 0.0 115.224 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.59 -73.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.919 2.413 . . . . 0.0 118.088 -166.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.75 13.64 0.79 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.768 2.077 . . . . 0.0 113.745 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.22 -24.03 32.53 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.307 -2.121 . . . . 0.0 110.633 162.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.31 142.59 27.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.43 1.492 . . . . 0.0 112.279 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -132.26 115.16 15.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.917 -1.114 . . . . 0.0 110.024 168.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.15 129.37 34.87 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.642 -1.286 . . . . 0.0 112.18 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -106.56 131.4 56.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 126.793 2.037 . . . . 0.0 109.178 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.58 123.03 49.0 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 165.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 -88.45 0.02 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.93 13.07 3.12 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 121.084 -1.01 . . . . 0.0 112.526 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.79 132.76 51.52 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.782 -1.423 . . . . 0.0 109.648 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.58 140.39 34.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.819 -1.176 . . . . 0.0 110.375 168.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.4 151.85 23.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.924 -1.11 . . . . 0.0 112.904 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -80.25 164.65 23.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 163.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.34 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.187 2.195 . . . . 0.0 115.934 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.44 42.35 1.23 Allowed Glycine 0 C--N 1.356 1.663 0 O-C-N 120.226 -1.546 . . . . 0.0 116.418 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.29 148.79 33.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.565 1.946 . . . . 0.0 106.856 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 48.2 p -91.69 164.06 13.87 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.096 1.427 . . . . 0.0 113.291 -172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.58 -30.66 70.82 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.524 -1.985 . . . . 0.0 112.9 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.09 -45.24 86.01 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.905 -1.122 . . . . 0.0 113.835 171.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.6 -52.05 61.05 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.488 1.915 . . . . 0.0 112.337 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.65 -9.0 57.57 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 119.507 -1.995 . . . . 0.0 116.04 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 t30 60.24 41.67 16.32 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.584 1.554 . . . . 0.0 113.183 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.75 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -96.15 -161.88 0.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.81 -1.181 . . . . 0.0 110.933 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.43 48.37 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 120.067 -1.646 . . . . 0.0 113.996 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 67.1 2.62 2.83 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 126.876 2.07 . . . . 0.0 114.941 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -64.96 124.63 22.56 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 119.743 -1.848 . . . . 0.0 113.515 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -90.21 114.61 26.63 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 121.246 -0.908 . . . . 0.0 110.065 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 mt -99.58 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.56 27.89 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 122.223 1.011 . . . . 0.0 110.047 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -91.99 125.55 36.73 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 126.442 1.897 . . . . 0.0 110.561 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.31 170.62 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.6 mt -122.49 121.35 36.36 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.972 -1.08 . . . . 0.0 110.74 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 124.26 1.024 . . . . 0.0 110.603 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.791 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.66 123.76 32.2 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.808 -1.183 . . . . 0.0 113.752 -165.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.6 159.8 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 122.391 1.091 . . . . 0.0 110.479 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -112.54 95.91 5.7 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.157 -0.964 . . . . 0.0 109.089 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.41 100.44 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 119.491 -2.006 . . . . 0.0 108.346 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -84.99 159.02 20.33 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 119.171 -2.206 . . . . 0.0 111.136 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.2 p -99.57 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 152.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.48 -34.47 78.3 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.896 1.332 . . . . 0.0 110.705 170.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -74.37 56.44 0.65 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 126.417 1.887 . . . . 0.0 113.77 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.46 -55.16 4.96 Favored Glycine 0 C--N 1.346 1.121 0 O-C-N 119.991 -1.693 . . . . 0.0 116.519 168.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.41 141.82 40.72 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.858 2.063 . . . . 0.0 115.075 -167.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -119.67 119.01 32.46 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.081 -1.637 . . . . 0.0 107.07 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.38 97.11 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -81.49 115.1 20.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 120.307 -1.496 . . . . 0.0 110.545 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.81 137.26 54.98 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 121.268 -0.895 . . . . 0.0 111.631 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.97 106.2 15.45 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 163.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.3 164.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 122.858 1.313 . . . . 0.0 111.701 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.79 163.35 24.35 Favored Pre-proline 0 N--CA 1.439 -0.981 0 C-N-CA 125.91 1.684 . . . . 0.0 111.31 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 -15.14 19.91 Favored 'Trans proline' 0 C--N 1.331 -0.362 0 C-N-CA 121.759 1.64 . . . . 0.0 111.508 163.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -13.84 38.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 127.602 2.361 . . . . 0.0 113.432 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.22 118.34 4.29 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 124.818 1.247 . . . . 0.0 114.271 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -84.39 170.17 13.85 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.38 -42.07 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 O-C-N 119.646 -1.909 . . . . 0.0 112.525 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 120.19 -1.569 . . . . 0.0 114.308 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -71.42 -42.61 68.08 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.308 -1.495 . . . . 0.0 110.692 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.74 -44.63 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.309 -1.494 . . . . 0.0 111.871 168.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.82 -37.94 74.69 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.968 -1.708 . . . . 0.0 113.752 172.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.0 93.0 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.64 -1.287 . . . . 0.0 113.094 172.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -69.02 -30.71 69.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.759 -1.213 . . . . 0.0 112.806 172.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -71.67 -34.49 52.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.631 -1.918 . . . . 0.0 111.62 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.5 -46.97 86.01 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.221 -1.55 . . . . 0.0 113.054 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.82 -63.81 1.03 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.244 1.817 . . . . 0.0 111.665 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -54.97 25.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.01 0.0 14.89 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.797 -1.815 . . . . 0.0 114.055 -171.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.68 21.23 58.34 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.429 -1.42 . . . . 0.0 116.495 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -103.5 118.98 56.3 Favored Pre-proline 0 CA--C 1.538 0.512 0 O-C-N 120.518 -1.577 . . . . 0.0 111.723 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -67.92 167.01 22.67 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 123.71 2.361 . . . . 0.0 115.232 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -60.54 -73.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.956 2.438 . . . . 0.0 118.09 -166.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.74 13.66 0.78 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.676 2.035 . . . . 0.0 113.734 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.2 -24.1 32.56 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.339 -2.1 . . . . 0.0 110.637 162.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.3 142.65 27.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.383 1.473 . . . . 0.0 112.29 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.3 115.2 15.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.878 -1.139 . . . . 0.0 110.015 168.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.26 129.4 34.86 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.687 -1.258 . . . . 0.0 112.142 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.56 131.26 56.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 126.841 2.057 . . . . 0.0 109.204 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.49 123.04 49.08 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 165.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.93 -88.4 0.02 OUTLIER 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.17 1.388 . . . . 0.0 113.452 -171.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -140.0 13.12 3.1 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 121.102 -0.999 . . . . 0.0 112.491 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.86 132.77 51.56 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.772 -1.428 . . . . 0.0 109.604 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 140.36 34.54 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.808 -1.182 . . . . 0.0 110.399 168.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.45 151.91 23.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.919 -1.113 . . . . 0.0 112.843 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -80.29 164.61 23.05 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 163.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.38 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 127.121 2.168 . . . . 0.0 115.959 -172.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.38 42.31 1.21 Allowed Glycine 0 C--N 1.355 1.613 0 O-C-N 120.208 -1.558 . . . . 0.0 116.395 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.23 148.76 33.43 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 126.564 1.946 . . . . 0.0 106.885 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -91.67 164.03 13.88 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 123.096 1.427 . . . . 0.0 113.286 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.54 -30.72 70.83 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.562 -1.961 . . . . 0.0 112.952 168.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.03 -45.19 86.51 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.853 -1.154 . . . . 0.0 113.851 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.67 -52.0 61.37 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.496 1.919 . . . . 0.0 112.301 171.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -71.68 -9.0 57.59 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.495 -2.003 . . . . 0.0 115.988 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.6 t30 60.16 41.74 16.46 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.624 1.57 . . . . 0.0 113.206 -170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.77 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -96.19 -161.82 0.9 Allowed 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.794 -1.191 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.42 48.39 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 120.074 -1.642 . . . . 0.0 114.023 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.25 5.0 mp0 67.13 2.57 2.82 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.942 2.097 . . . . 0.0 114.951 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -64.95 124.67 22.65 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.759 -1.838 . . . . 0.0 113.52 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.4 m -90.19 114.62 26.64 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.215 -0.928 . . . . 0.0 110.032 174.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 mt -99.64 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.53 27.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.177 0.989 . . . . 0.0 110.049 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -91.96 125.61 36.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.451 1.9 . . . . 0.0 110.549 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.32 170.68 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 168.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.7 mt -122.51 121.35 36.34 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 121.018 -1.051 . . . . 0.0 110.7 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.206 1.002 . . . . 0.0 110.559 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.039 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 1.039 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.787 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.65 123.75 32.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.807 -1.183 . . . . 0.0 113.743 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -120.61 159.84 21.86 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-O 122.395 1.093 . . . . 0.0 110.441 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -112.57 95.95 5.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.201 -0.937 . . . . 0.0 109.089 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.37 100.47 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 O-C-N 119.503 -1.998 . . . . 0.0 108.371 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -85.06 159.04 20.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.174 -2.204 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -99.56 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 152.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.5 -34.52 78.4 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 122.934 1.349 . . . . 0.0 110.65 170.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -74.43 56.52 0.67 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 126.422 1.889 . . . . 0.0 113.748 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.41 -55.14 4.96 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 119.982 -1.699 . . . . 0.0 116.563 168.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.35 141.84 40.34 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.811 2.044 . . . . 0.0 115.079 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -119.65 119.1 32.74 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 120.035 -1.666 . . . . 0.0 107.032 168.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.43 97.1 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.6 m -81.5 115.12 20.66 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.233 -1.542 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.8 137.19 55.0 Favored 'General case' 0 CA--C 1.515 -0.391 0 O-C-N 121.278 -0.889 . . . . 0.0 111.677 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.88 106.17 15.35 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 163.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.29 164.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-O 122.913 1.34 . . . . 0.0 111.676 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -93.7 163.33 24.59 Favored Pre-proline 0 N--CA 1.439 -1.005 0 C-N-CA 125.901 1.681 . . . . 0.0 111.338 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.37 -15.18 20.09 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.78 1.653 . . . . 0.0 111.514 163.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -13.89 38.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 127.58 2.352 . . . . 0.0 113.382 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.17 118.39 4.32 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.831 1.252 . . . . 0.0 114.28 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -84.39 170.21 13.8 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 162.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.43 -42.07 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 119.615 -1.928 . . . . 0.0 112.543 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.86 -25.83 66.95 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.277 -1.514 . . . . 0.0 114.318 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -71.46 -42.55 68.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.314 -1.491 . . . . 0.0 110.668 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.8 -44.61 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.344 -1.473 . . . . 0.0 111.874 168.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.77 -38.01 74.7 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.985 -1.697 . . . . 0.0 113.779 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.0 93.0 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.617 -1.302 . . . . 0.0 113.13 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -68.99 -30.77 69.25 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.774 -1.204 . . . . 0.0 112.82 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -71.64 -34.5 52.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 119.596 -1.94 . . . . 0.0 111.642 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -62.54 -46.89 86.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.204 -1.56 . . . . 0.0 113.049 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.89 -63.83 1.02 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.321 1.848 . . . . 0.0 111.631 168.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -54.98 25.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -175.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.03 0.03 14.89 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.763 -1.835 . . . . 0.0 114.061 -171.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.59 21.17 58.62 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 120.425 -1.422 . . . . 0.0 116.588 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mt -103.41 118.92 56.54 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 120.476 -1.603 . . . . 0.0 111.764 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -67.93 167.0 22.71 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 CA-C-N 123.717 2.363 . . . . 0.0 115.224 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.59 -73.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.919 2.413 . . . . 0.0 118.088 -166.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.75 13.64 0.79 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.768 2.077 . . . . 0.0 113.745 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.22 -24.03 32.53 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.307 -2.121 . . . . 0.0 110.633 162.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.31 142.59 27.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.43 1.492 . . . . 0.0 112.279 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -132.26 115.16 15.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.917 -1.114 . . . . 0.0 110.024 168.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.15 129.37 34.87 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.642 -1.286 . . . . 0.0 112.18 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -106.56 131.4 56.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 126.793 2.037 . . . . 0.0 109.178 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.58 123.03 49.0 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 165.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 -88.45 0.02 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.93 13.07 3.12 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 121.084 -1.01 . . . . 0.0 112.526 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.79 132.76 51.52 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.782 -1.423 . . . . 0.0 109.648 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.58 140.39 34.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.819 -1.176 . . . . 0.0 110.375 168.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.4 151.85 23.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.924 -1.11 . . . . 0.0 112.904 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -80.25 164.65 23.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 163.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.34 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.187 2.195 . . . . 0.0 115.934 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.44 42.35 1.23 Allowed Glycine 0 C--N 1.356 1.663 0 O-C-N 120.226 -1.546 . . . . 0.0 116.418 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.29 148.79 33.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.565 1.946 . . . . 0.0 106.856 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 48.2 p -91.69 164.06 13.87 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.096 1.427 . . . . 0.0 113.291 -172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.58 -30.66 70.82 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.524 -1.985 . . . . 0.0 112.9 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.09 -45.24 86.01 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.905 -1.122 . . . . 0.0 113.835 171.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.6 -52.05 61.05 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.488 1.915 . . . . 0.0 112.337 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.65 -9.0 57.57 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 119.507 -1.995 . . . . 0.0 116.04 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 t30 60.24 41.67 16.32 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.584 1.554 . . . . 0.0 113.183 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.75 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -96.15 -161.88 0.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.81 -1.181 . . . . 0.0 110.933 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.43 48.37 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 120.067 -1.646 . . . . 0.0 113.996 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 67.1 2.62 2.83 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 126.876 2.07 . . . . 0.0 114.941 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -64.96 124.63 22.56 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 119.743 -1.848 . . . . 0.0 113.515 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -90.21 114.61 26.63 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 121.246 -0.908 . . . . 0.0 110.065 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 mt -99.58 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 171.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.56 27.89 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 122.223 1.011 . . . . 0.0 110.047 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -91.99 125.55 36.73 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 126.442 1.897 . . . . 0.0 110.561 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.31 170.62 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.6 mt -122.49 121.35 36.36 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.972 -1.08 . . . . 0.0 110.74 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 124.26 1.024 . . . . 0.0 110.603 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.791 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.66 123.76 32.2 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.808 -1.183 . . . . 0.0 113.752 -165.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.6 159.8 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 122.391 1.091 . . . . 0.0 110.479 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -112.54 95.91 5.7 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.157 -0.964 . . . . 0.0 109.089 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.41 100.44 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 119.491 -2.006 . . . . 0.0 108.346 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -84.99 159.02 20.33 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 119.171 -2.206 . . . . 0.0 111.136 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.2 p -99.57 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 152.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.48 -34.47 78.3 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.896 1.332 . . . . 0.0 110.705 170.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -74.37 56.44 0.65 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 126.417 1.887 . . . . 0.0 113.77 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.46 -55.16 4.96 Favored Glycine 0 C--N 1.346 1.121 0 O-C-N 119.991 -1.693 . . . . 0.0 116.519 168.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.41 141.82 40.72 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.858 2.063 . . . . 0.0 115.075 -167.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -119.67 119.01 32.46 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.081 -1.637 . . . . 0.0 107.07 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.38 97.11 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -81.49 115.1 20.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 120.307 -1.496 . . . . 0.0 110.545 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.81 137.26 54.98 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 121.268 -0.895 . . . . 0.0 111.631 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.97 106.2 15.45 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 163.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.3 164.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 122.858 1.313 . . . . 0.0 111.701 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.79 163.35 24.35 Favored Pre-proline 0 N--CA 1.439 -0.981 0 C-N-CA 125.91 1.684 . . . . 0.0 111.31 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 -15.14 19.91 Favored 'Trans proline' 0 C--N 1.331 -0.362 0 C-N-CA 121.759 1.64 . . . . 0.0 111.508 163.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -13.84 38.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 127.602 2.361 . . . . 0.0 113.432 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.22 118.34 4.29 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 124.818 1.247 . . . . 0.0 114.271 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -84.39 170.17 13.85 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.38 -42.07 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 O-C-N 119.646 -1.909 . . . . 0.0 112.525 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 120.19 -1.569 . . . . 0.0 114.308 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -71.42 -42.61 68.08 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.308 -1.495 . . . . 0.0 110.692 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.74 -44.63 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.309 -1.494 . . . . 0.0 111.871 168.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.82 -37.94 74.69 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.968 -1.708 . . . . 0.0 113.752 172.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.0 93.0 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.64 -1.287 . . . . 0.0 113.094 172.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -69.02 -30.71 69.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.759 -1.213 . . . . 0.0 112.806 172.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -71.67 -34.49 52.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.631 -1.918 . . . . 0.0 111.62 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.5 -46.97 86.01 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.221 -1.55 . . . . 0.0 113.054 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.82 -63.81 1.03 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.244 1.817 . . . . 0.0 111.665 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -54.97 25.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.01 0.0 14.89 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.797 -1.815 . . . . 0.0 114.055 -171.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.68 21.23 58.34 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.429 -1.42 . . . . 0.0 116.495 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -103.5 118.98 56.3 Favored Pre-proline 0 CA--C 1.538 0.512 0 O-C-N 120.518 -1.577 . . . . 0.0 111.723 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -67.92 167.01 22.67 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 123.71 2.361 . . . . 0.0 115.232 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -60.54 -73.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.956 2.438 . . . . 0.0 118.09 -166.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.74 13.66 0.78 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.676 2.035 . . . . 0.0 113.734 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.2 -24.1 32.56 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.339 -2.1 . . . . 0.0 110.637 162.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.3 142.65 27.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.383 1.473 . . . . 0.0 112.29 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.3 115.2 15.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.878 -1.139 . . . . 0.0 110.015 168.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.26 129.4 34.86 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.687 -1.258 . . . . 0.0 112.142 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.56 131.26 56.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 126.841 2.057 . . . . 0.0 109.204 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.49 123.04 49.08 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 165.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.93 -88.4 0.02 OUTLIER 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.17 1.388 . . . . 0.0 113.452 -171.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -140.0 13.12 3.1 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 121.102 -0.999 . . . . 0.0 112.491 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.86 132.77 51.56 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.772 -1.428 . . . . 0.0 109.604 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 140.36 34.54 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.808 -1.182 . . . . 0.0 110.399 168.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.45 151.91 23.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.919 -1.113 . . . . 0.0 112.843 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -80.29 164.61 23.05 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 163.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.38 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 127.121 2.168 . . . . 0.0 115.959 -172.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.38 42.31 1.21 Allowed Glycine 0 C--N 1.355 1.613 0 O-C-N 120.208 -1.558 . . . . 0.0 116.395 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.23 148.76 33.43 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 126.564 1.946 . . . . 0.0 106.885 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -91.67 164.03 13.88 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 123.096 1.427 . . . . 0.0 113.286 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.54 -30.72 70.83 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.562 -1.961 . . . . 0.0 112.952 168.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.03 -45.19 86.51 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.853 -1.154 . . . . 0.0 113.851 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.67 -52.0 61.37 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.496 1.919 . . . . 0.0 112.301 171.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -71.68 -9.0 57.59 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.495 -2.003 . . . . 0.0 115.988 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.6 t30 60.16 41.74 16.46 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.624 1.57 . . . . 0.0 113.206 -170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.77 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -96.19 -161.82 0.9 Allowed 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.794 -1.191 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.42 48.39 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 120.074 -1.642 . . . . 0.0 114.023 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.25 5.0 mp0 67.13 2.57 2.82 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.942 2.097 . . . . 0.0 114.951 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -64.95 124.67 22.65 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.759 -1.838 . . . . 0.0 113.52 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.4 m -90.19 114.62 26.64 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.215 -0.928 . . . . 0.0 110.032 174.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 mt -99.64 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.53 27.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.177 0.989 . . . . 0.0 110.049 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -91.96 125.61 36.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.451 1.9 . . . . 0.0 110.549 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.32 170.68 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 168.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.7 mt -122.51 121.35 36.34 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 121.018 -1.051 . . . . 0.0 110.7 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.206 1.002 . . . . 0.0 110.559 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.039 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 1.039 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.787 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.65 123.75 32.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.807 -1.183 . . . . 0.0 113.743 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -120.61 159.84 21.86 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-O 122.395 1.093 . . . . 0.0 110.441 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -112.57 95.95 5.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.201 -0.937 . . . . 0.0 109.089 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.37 100.47 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 O-C-N 119.503 -1.998 . . . . 0.0 108.371 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -85.06 159.04 20.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.174 -2.204 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -99.56 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 152.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.5 -34.52 78.4 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 122.934 1.349 . . . . 0.0 110.65 170.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -74.43 56.52 0.67 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 126.422 1.889 . . . . 0.0 113.748 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.41 -55.14 4.96 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 119.982 -1.699 . . . . 0.0 116.563 168.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.35 141.84 40.34 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.811 2.044 . . . . 0.0 115.079 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -119.65 119.1 32.74 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 120.035 -1.666 . . . . 0.0 107.032 168.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.43 97.1 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.6 m -81.5 115.12 20.66 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.233 -1.542 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.8 137.19 55.0 Favored 'General case' 0 CA--C 1.515 -0.391 0 O-C-N 121.278 -0.889 . . . . 0.0 111.677 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.88 106.17 15.35 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 163.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.29 164.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-O 122.913 1.34 . . . . 0.0 111.676 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -93.7 163.33 24.59 Favored Pre-proline 0 N--CA 1.439 -1.005 0 C-N-CA 125.901 1.681 . . . . 0.0 111.338 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.37 -15.18 20.09 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.78 1.653 . . . . 0.0 111.514 163.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -13.89 38.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 127.58 2.352 . . . . 0.0 113.382 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.17 118.39 4.32 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.831 1.252 . . . . 0.0 114.28 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -84.39 170.21 13.8 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 162.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.43 -42.07 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 119.615 -1.928 . . . . 0.0 112.543 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.86 -25.83 66.95 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.277 -1.514 . . . . 0.0 114.318 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -71.46 -42.55 68.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.314 -1.491 . . . . 0.0 110.668 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.8 -44.61 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.344 -1.473 . . . . 0.0 111.874 168.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.77 -38.01 74.7 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.985 -1.697 . . . . 0.0 113.779 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.0 93.0 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.617 -1.302 . . . . 0.0 113.13 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -68.99 -30.77 69.25 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.774 -1.204 . . . . 0.0 112.82 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -71.64 -34.5 52.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 119.596 -1.94 . . . . 0.0 111.642 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -62.54 -46.89 86.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.204 -1.56 . . . . 0.0 113.049 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.89 -63.83 1.02 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.321 1.848 . . . . 0.0 111.631 168.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -54.98 25.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.03 0.03 14.89 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.763 -1.835 . . . . 0.0 114.061 -171.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.59 21.17 58.62 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 120.425 -1.422 . . . . 0.0 116.588 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mt -103.41 118.92 56.54 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 120.476 -1.603 . . . . 0.0 111.764 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -67.93 167.0 22.71 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 CA-C-N 123.717 2.363 . . . . 0.0 115.224 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.59 -73.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.919 2.413 . . . . 0.0 118.088 -166.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.75 13.64 0.79 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.768 2.077 . . . . 0.0 113.745 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.22 -24.03 32.53 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.307 -2.121 . . . . 0.0 110.633 162.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.31 142.59 27.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.43 1.492 . . . . 0.0 112.279 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -132.26 115.16 15.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.917 -1.114 . . . . 0.0 110.024 168.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.15 129.37 34.87 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.642 -1.286 . . . . 0.0 112.18 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -106.56 131.4 56.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 126.793 2.037 . . . . 0.0 109.178 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.58 123.03 49.0 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 165.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 -88.45 0.02 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.93 13.07 3.12 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 121.084 -1.01 . . . . 0.0 112.526 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.79 132.76 51.52 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.782 -1.423 . . . . 0.0 109.648 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.58 140.39 34.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.819 -1.176 . . . . 0.0 110.375 168.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.4 151.85 23.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.924 -1.11 . . . . 0.0 112.904 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -80.25 164.65 23.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 163.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.34 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.187 2.195 . . . . 0.0 115.934 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.44 42.35 1.23 Allowed Glycine 0 C--N 1.356 1.663 0 O-C-N 120.226 -1.546 . . . . 0.0 116.418 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.29 148.79 33.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.565 1.946 . . . . 0.0 106.856 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 48.2 p -91.69 164.06 13.87 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.096 1.427 . . . . 0.0 113.291 -172.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.58 -30.66 70.82 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.524 -1.985 . . . . 0.0 112.9 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.09 -45.24 86.01 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.905 -1.122 . . . . 0.0 113.835 171.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.6 -52.05 61.05 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.488 1.915 . . . . 0.0 112.337 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.65 -9.0 57.57 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 119.507 -1.995 . . . . 0.0 116.04 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 t30 60.24 41.67 16.32 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.584 1.554 . . . . 0.0 113.183 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.75 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -96.15 -161.88 0.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.81 -1.181 . . . . 0.0 110.933 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.43 48.37 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 120.067 -1.646 . . . . 0.0 113.996 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 67.1 2.62 2.83 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 126.876 2.07 . . . . 0.0 114.941 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -64.96 124.63 22.56 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 119.743 -1.848 . . . . 0.0 113.515 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -90.21 114.61 26.63 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 121.246 -0.908 . . . . 0.0 110.065 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 mt -99.58 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.56 27.89 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 122.223 1.011 . . . . 0.0 110.047 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -91.99 125.55 36.73 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 126.442 1.897 . . . . 0.0 110.561 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.31 170.62 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.6 mt -122.49 121.35 36.36 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.972 -1.08 . . . . 0.0 110.74 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 124.26 1.024 . . . . 0.0 110.603 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.791 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.66 123.76 32.2 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.808 -1.183 . . . . 0.0 113.752 -165.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.6 159.8 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 122.391 1.091 . . . . 0.0 110.479 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -112.54 95.91 5.7 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.157 -0.964 . . . . 0.0 109.089 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.41 100.44 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 119.491 -2.006 . . . . 0.0 108.346 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -84.99 159.02 20.33 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 119.171 -2.206 . . . . 0.0 111.136 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.2 p -99.57 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 152.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.48 -34.47 78.3 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.896 1.332 . . . . 0.0 110.705 170.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -74.37 56.44 0.65 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 126.417 1.887 . . . . 0.0 113.77 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.46 -55.16 4.96 Favored Glycine 0 C--N 1.346 1.121 0 O-C-N 119.991 -1.693 . . . . 0.0 116.519 168.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.41 141.82 40.72 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.858 2.063 . . . . 0.0 115.075 -167.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -119.67 119.01 32.46 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.081 -1.637 . . . . 0.0 107.07 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.38 97.11 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -81.49 115.1 20.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 120.307 -1.496 . . . . 0.0 110.545 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.81 137.26 54.98 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 121.268 -0.895 . . . . 0.0 111.631 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.97 106.2 15.45 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 163.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.3 164.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 122.858 1.313 . . . . 0.0 111.701 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.79 163.35 24.35 Favored Pre-proline 0 N--CA 1.439 -0.981 0 C-N-CA 125.91 1.684 . . . . 0.0 111.31 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 -15.14 19.91 Favored 'Trans proline' 0 C--N 1.331 -0.362 0 C-N-CA 121.759 1.64 . . . . 0.0 111.508 163.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -13.84 38.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 127.602 2.361 . . . . 0.0 113.432 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.22 118.34 4.29 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 124.818 1.247 . . . . 0.0 114.271 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -84.39 170.17 13.85 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.38 -42.07 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 O-C-N 119.646 -1.909 . . . . 0.0 112.525 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 120.19 -1.569 . . . . 0.0 114.308 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -71.42 -42.61 68.08 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.308 -1.495 . . . . 0.0 110.692 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.74 -44.63 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.309 -1.494 . . . . 0.0 111.871 168.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.82 -37.94 74.69 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.968 -1.708 . . . . 0.0 113.752 172.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.0 93.0 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.64 -1.287 . . . . 0.0 113.094 172.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -69.02 -30.71 69.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.759 -1.213 . . . . 0.0 112.806 172.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -71.67 -34.49 52.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.631 -1.918 . . . . 0.0 111.62 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.5 -46.97 86.01 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.221 -1.55 . . . . 0.0 113.054 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.82 -63.81 1.03 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.244 1.817 . . . . 0.0 111.665 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -54.97 25.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.01 0.0 14.89 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.797 -1.815 . . . . 0.0 114.055 -171.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.68 21.23 58.34 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.429 -1.42 . . . . 0.0 116.495 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -103.5 118.98 56.3 Favored Pre-proline 0 CA--C 1.538 0.512 0 O-C-N 120.518 -1.577 . . . . 0.0 111.723 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -67.92 167.01 22.67 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 123.71 2.361 . . . . 0.0 115.232 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -60.54 -73.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.956 2.438 . . . . 0.0 118.09 -166.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.74 13.66 0.78 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.676 2.035 . . . . 0.0 113.734 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.2 -24.1 32.56 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.339 -2.1 . . . . 0.0 110.637 162.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.3 142.65 27.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.383 1.473 . . . . 0.0 112.29 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.3 115.2 15.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.878 -1.139 . . . . 0.0 110.015 168.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.26 129.4 34.86 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.687 -1.258 . . . . 0.0 112.142 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.56 131.26 56.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 126.841 2.057 . . . . 0.0 109.204 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.49 123.04 49.08 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 165.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.93 -88.4 0.02 OUTLIER 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.17 1.388 . . . . 0.0 113.452 -171.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -140.0 13.12 3.1 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 121.102 -0.999 . . . . 0.0 112.491 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.86 132.77 51.56 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.772 -1.428 . . . . 0.0 109.604 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 140.36 34.54 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.808 -1.182 . . . . 0.0 110.399 168.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.45 151.91 23.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.919 -1.113 . . . . 0.0 112.843 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -80.29 164.61 23.05 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 163.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.38 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 127.121 2.168 . . . . 0.0 115.959 -172.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.38 42.31 1.21 Allowed Glycine 0 C--N 1.355 1.613 0 O-C-N 120.208 -1.558 . . . . 0.0 116.395 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.23 148.76 33.43 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 126.564 1.946 . . . . 0.0 106.885 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -91.67 164.03 13.88 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 123.096 1.427 . . . . 0.0 113.286 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.54 -30.72 70.83 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.562 -1.961 . . . . 0.0 112.952 168.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.03 -45.19 86.51 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.853 -1.154 . . . . 0.0 113.851 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.67 -52.0 61.37 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.496 1.919 . . . . 0.0 112.301 171.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -71.68 -9.0 57.59 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.495 -2.003 . . . . 0.0 115.988 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.6 t30 60.16 41.74 16.46 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.624 1.57 . . . . 0.0 113.206 -170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.77 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -96.19 -161.82 0.9 Allowed 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.794 -1.191 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.42 48.39 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 120.074 -1.642 . . . . 0.0 114.023 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.25 5.0 mp0 67.13 2.57 2.82 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.942 2.097 . . . . 0.0 114.951 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -64.95 124.67 22.65 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.759 -1.838 . . . . 0.0 113.52 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.4 m -90.19 114.62 26.64 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.215 -0.928 . . . . 0.0 110.032 174.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 mt -99.64 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.53 27.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.177 0.989 . . . . 0.0 110.049 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -91.96 125.61 36.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.451 1.9 . . . . 0.0 110.549 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.32 170.68 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 168.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.7 mt -122.51 121.35 36.34 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 121.018 -1.051 . . . . 0.0 110.7 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.206 1.002 . . . . 0.0 110.559 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.039 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 1.039 ' HB2' ' O ' ' A' ' 71' ' ' LEU . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.787 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.65 123.75 32.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 120.807 -1.183 . . . . 0.0 113.743 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -120.61 159.84 21.86 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 CA-C-O 122.395 1.093 . . . . 0.0 110.441 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -112.57 95.95 5.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 121.201 -0.937 . . . . 0.0 109.089 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.37 100.47 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 O-C-N 119.503 -1.998 . . . . 0.0 108.371 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -85.06 159.04 20.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.174 -2.204 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -99.56 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 152.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.5 -34.52 78.4 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 122.934 1.349 . . . . 0.0 110.65 170.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -74.43 56.52 0.67 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 126.422 1.889 . . . . 0.0 113.748 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.41 -55.14 4.96 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 119.982 -1.699 . . . . 0.0 116.563 168.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.35 141.84 40.34 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.811 2.044 . . . . 0.0 115.079 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.3 m -119.65 119.1 32.74 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 120.035 -1.666 . . . . 0.0 107.032 168.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.43 97.1 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.6 m -81.5 115.12 20.66 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.233 -1.542 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -122.8 137.19 55.0 Favored 'General case' 0 CA--C 1.515 -0.391 0 O-C-N 121.278 -0.889 . . . . 0.0 111.677 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.88 106.17 15.35 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 163.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.29 164.18 5.44 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-O 122.913 1.34 . . . . 0.0 111.676 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -93.7 163.33 24.59 Favored Pre-proline 0 N--CA 1.439 -1.005 0 C-N-CA 125.901 1.681 . . . . 0.0 111.338 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.37 -15.18 20.09 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 121.78 1.653 . . . . 0.0 111.514 163.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -13.89 38.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 127.58 2.352 . . . . 0.0 113.382 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.17 118.39 4.32 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.831 1.252 . . . . 0.0 114.28 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -84.39 170.21 13.8 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 162.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.43 -42.07 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 119.615 -1.928 . . . . 0.0 112.543 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.86 -25.83 66.95 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.277 -1.514 . . . . 0.0 114.318 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -71.46 -42.55 68.01 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.314 -1.491 . . . . 0.0 110.668 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.8 -44.61 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.344 -1.473 . . . . 0.0 111.874 168.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.77 -38.01 74.7 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.985 -1.697 . . . . 0.0 113.779 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.0 93.0 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.617 -1.302 . . . . 0.0 113.13 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -68.99 -30.77 69.25 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.774 -1.204 . . . . 0.0 112.82 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -71.64 -34.5 52.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 119.596 -1.94 . . . . 0.0 111.642 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -62.54 -46.89 86.33 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.204 -1.56 . . . . 0.0 113.049 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.89 -63.83 1.02 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.321 1.848 . . . . 0.0 111.631 168.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.2 -54.98 25.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -175.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.03 0.03 14.89 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.763 -1.835 . . . . 0.0 114.061 -171.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.59 21.17 58.62 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 120.425 -1.422 . . . . 0.0 116.588 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.3 mt -103.41 118.92 56.54 Favored Pre-proline 0 CA--C 1.538 0.49 0 O-C-N 120.476 -1.603 . . . . 0.0 111.764 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -67.93 167.0 22.71 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 CA-C-N 123.717 2.363 . . . . 0.0 115.224 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.59 -73.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.919 2.413 . . . . 0.0 118.088 -166.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.75 13.64 0.79 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.768 2.077 . . . . 0.0 113.745 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.22 -24.03 32.53 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.307 -2.121 . . . . 0.0 110.633 162.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.31 142.59 27.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.43 1.492 . . . . 0.0 112.279 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -132.26 115.16 15.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.917 -1.114 . . . . 0.0 110.024 168.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.15 129.37 34.87 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.642 -1.286 . . . . 0.0 112.18 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 mm -106.56 131.4 56.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 C-N-CA 126.793 2.037 . . . . 0.0 109.178 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.58 123.03 49.0 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 165.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.95 -88.45 0.02 OUTLIER 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.93 13.07 3.12 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 121.084 -1.01 . . . . 0.0 112.526 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.79 132.76 51.52 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.782 -1.423 . . . . 0.0 109.648 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.58 140.39 34.5 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.819 -1.176 . . . . 0.0 110.375 168.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.4 151.85 23.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.924 -1.11 . . . . 0.0 112.904 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -80.25 164.65 23.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 163.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.34 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.187 2.195 . . . . 0.0 115.934 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.44 42.35 1.23 Allowed Glycine 0 C--N 1.356 1.663 0 O-C-N 120.226 -1.546 . . . . 0.0 116.418 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.29 148.79 33.44 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.565 1.946 . . . . 0.0 106.856 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 48.2 p -91.69 164.06 13.87 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 123.096 1.427 . . . . 0.0 113.291 -172.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.58 -30.66 70.82 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.524 -1.985 . . . . 0.0 112.9 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.09 -45.24 86.01 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.905 -1.122 . . . . 0.0 113.835 171.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.6 -52.05 61.05 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.488 1.915 . . . . 0.0 112.337 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.65 -9.0 57.57 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 119.507 -1.995 . . . . 0.0 116.04 177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 t30 60.24 41.67 16.32 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 125.584 1.554 . . . . 0.0 113.183 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.75 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -96.15 -161.88 0.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.81 -1.181 . . . . 0.0 110.933 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.43 48.37 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 120.067 -1.646 . . . . 0.0 113.996 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 67.1 2.62 2.83 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 126.876 2.07 . . . . 0.0 114.941 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -64.96 124.63 22.56 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 119.743 -1.848 . . . . 0.0 113.515 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -90.21 114.61 26.63 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 121.246 -0.908 . . . . 0.0 110.065 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 mt -99.58 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 171.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.56 27.89 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 122.223 1.011 . . . . 0.0 110.047 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -91.99 125.55 36.73 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 126.442 1.897 . . . . 0.0 110.561 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.31 170.62 9.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.6 mt -122.49 121.35 36.36 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.972 -1.08 . . . . 0.0 110.74 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 124.26 1.024 . . . . 0.0 110.603 173.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' H2 ' ' CD ' ' A' ' 16' ' ' GLU . 26.9 ptt? . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -89.84 144.19 26.16 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.952 -1.718 . . . . 0.0 112.946 -166.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -124.86 150.13 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 O-C-N 120.164 -1.585 . . . . 0.0 109.305 161.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -110.71 91.8 3.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.095 1.358 . . . . 0.0 108.391 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.2 t -85.56 117.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 O-C-N 120.451 -1.405 . . . . 0.0 109.285 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -100.27 108.6 20.7 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 119.65 -1.906 . . . . 0.0 112.04 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -82.19 102.79 11.34 Favored 'General case' 0 CA--C 1.509 -0.599 0 O-C-N 121.235 -0.915 . . . . 0.0 110.43 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt 34.89 -83.22 0.0 OUTLIER 'General case' 0 C--N 1.346 0.43 0 N-CA-C 119.647 3.202 . . . . 0.0 119.647 172.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -80.77 -1.61 43.63 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 120.573 -1.329 . . . . 0.0 114.145 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.49 -5.57 4.16 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 120.764 -1.21 . . . . 0.0 114.848 168.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -68.6 97.33 0.78 Allowed 'General case' 0 C--N 1.345 0.384 0 CA-C-O 123.11 1.433 . . . . 0.0 111.201 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -93.13 110.94 22.44 Favored 'General case' 0 CA--C 1.507 -0.678 0 O-C-N 120.754 -1.216 . . . . 0.0 111.243 -169.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -84.2 96.67 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 125.017 1.327 . . . . 0.0 109.274 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p -75.19 114.55 13.82 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 120.189 -1.569 . . . . 0.0 110.921 170.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -119.34 138.35 53.11 Favored 'General case' 0 CA--C 1.505 -0.752 0 O-C-N 120.632 -1.292 . . . . 0.0 109.725 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 3.3 mm-40 -84.48 113.64 21.35 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 164.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -110.06 151.33 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 123.338 1.542 . . . . 0.0 111.167 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -80.56 166.02 42.29 Favored Pre-proline 0 N--CA 1.441 -0.906 0 C-N-CA 125.911 1.684 . . . . 0.0 112.189 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.25 -12.44 21.03 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.001 1.8 . . . . 0.0 111.513 164.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -1.82 42.44 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 127.351 2.261 . . . . 0.0 112.973 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.71 151.2 47.89 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -159.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.2 p -129.34 165.01 22.33 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 125.022 1.329 . . . . 0.0 109.199 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.8 mm -82.08 -34.32 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 O-C-N 118.89 -2.381 . . . . 0.0 113.005 -164.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -31.66 63.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 120.084 -1.635 . . . . 0.0 111.513 171.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -59.18 -52.4 65.88 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 125.753 1.621 . . . . 0.0 111.448 165.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD11 ' A' ' 56' ' ' LEU . 50.1 t -57.75 -39.27 69.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 O-C-N 119.121 -2.237 . . . . 0.0 113.863 170.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -59.57 -39.19 83.27 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.53 -1.981 . . . . 0.0 113.61 168.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.22 99.29 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 119.991 -1.693 . . . . 0.0 113.274 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.63 -22.24 66.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.861 1.265 . . . . 0.0 114.226 171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.65 -37.8 12.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 119.879 -1.763 . . . . 0.0 111.271 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -64.4 -20.89 66.43 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.216 -1.552 . . . . 0.0 113.926 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.91 -106.93 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.952 2.101 . . . . 0.0 110.404 158.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -29.68 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.934 3.693 . . . . 0.0 120.462 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -108.26 -19.02 13.62 Favored 'General case' 0 C--N 1.345 0.407 0 O-C-N 120.691 -1.256 . . . . 0.0 113.106 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.1 13.98 82.36 Favored Glycine 0 C--N 1.351 1.388 0 O-C-N 120.552 -1.343 . . . . 0.0 116.422 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -92.81 123.43 61.51 Favored Pre-proline 0 CA--C 1.539 0.524 0 O-C-N 120.086 -1.832 . . . . 0.0 111.911 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -77.59 167.64 23.87 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 CA-C-N 124.042 2.479 . . . . 0.0 113.888 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -69.53 -26.32 28.79 Favored 'Trans proline' 0 C--N 1.348 0.515 0 N-CA-C 117.947 2.249 . . . . 0.0 117.947 -161.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -73.15 -39.6 65.56 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 123.283 1.516 . . . . 0.0 109.729 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' ' 72' ' ' ARG . 5.4 mp0 -69.36 -25.27 64.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.975 1.31 . . . . 0.0 111.301 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -83.52 104.02 13.32 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 168.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.62 102.57 11.39 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.959 -1.713 . . . . 0.0 109.364 167.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.82 152.52 26.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.148 -1.595 . . . . 0.0 112.198 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -130.3 131.9 65.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 O-C-N 120.386 -1.446 . . . . 0.0 108.849 173.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -155.03 130.53 9.8 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.811 -1.18 . . . . 0.0 112.075 175.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 36.41 81.63 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 C-N-CA 127.858 2.463 . . . . 0.0 116.578 172.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.84 -26.13 3.82 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 124.246 0.927 . . . . 0.0 114.752 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -115.53 138.02 51.47 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.289 -1.124 . . . . 0.0 111.905 -166.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -82.58 136.43 34.83 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 154.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.62 160.12 14.77 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 121.935 0.874 . . . . 0.0 111.75 -170.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -126.82 0.17 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.938 1.695 . . . . 0.0 110.486 -175.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.2 -76.58 0.54 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.744 1.618 . . . . 0.0 109.612 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.24 76.56 2.19 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.089 -1.632 . . . . 0.0 115.669 -173.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -134.77 171.64 14.08 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.541 1.137 . . . . 0.0 108.877 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.1 p -89.2 169.81 11.14 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.91 -1.744 . . . . 0.0 111.168 173.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 26' ' ' VAL . 7.7 mp -71.63 -34.91 70.2 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.288 -2.132 . . . . 0.0 111.987 168.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.3 p -62.37 -40.12 95.4 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.6 -56.02 3.96 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 128.128 2.571 . . . . 0.0 112.711 170.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -81.2 -7.3 59.54 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 68.77 44.25 1.15 Allowed 'General case' 0 C--N 1.352 0.692 0 C-N-CA 129.058 2.943 . . . . 0.0 112.741 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.63 126.03 44.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.359 0 O-C-N 120.626 -1.296 . . . . 0.0 108.613 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -129.99 -167.19 1.77 Allowed 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.922 -1.111 . . . . 0.0 110.791 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 142.0 45.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.821 -1.174 . . . . 0.0 113.83 166.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.278 5.9 mm-40 54.71 34.48 21.75 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 129.73 3.212 . . . . 0.0 114.647 178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -81.36 133.96 35.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 O-C-N 120.389 -1.444 . . . . 0.0 111.748 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -86.86 113.86 23.02 Favored 'General case' 0 CA--C 1.508 -0.646 0 O-C-N 120.64 -1.287 . . . . 0.0 108.833 166.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.57 162.96 12.52 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 167.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -114.61 146.1 41.21 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 120.805 -1.185 . . . . 0.0 108.667 169.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.9 tp -115.42 125.54 53.26 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 121.331 -0.856 . . . . 0.0 110.124 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 t -104.53 127.94 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.48 131.14 35.02 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.16 -0.962 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HB2' ' HA ' ' A' ' 40' ' ' GLN . 1.4 tmm_? . . . . . 0 C--N 1.347 0.498 0 O-C-N 121.407 -0.808 . . . . 0.0 112.791 -174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -86.66 123.76 32.2 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.808 -1.183 . . . . 0.0 113.752 -165.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 pt -120.6 159.8 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 122.391 1.091 . . . . 0.0 110.479 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -112.54 95.91 5.7 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 121.157 -0.964 . . . . 0.0 109.089 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.41 100.44 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 O-C-N 119.491 -2.006 . . . . 0.0 108.346 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -84.99 159.02 20.33 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 119.171 -2.206 . . . . 0.0 111.136 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.2 p -99.57 159.94 14.66 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 152.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.48 -34.47 78.3 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.896 1.332 . . . . 0.0 110.705 170.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.9 p -74.37 56.44 0.65 Allowed 'General case' 0 C--N 1.345 0.385 0 C-N-CA 126.417 1.887 . . . . 0.0 113.77 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.46 -55.16 4.96 Favored Glycine 0 C--N 1.346 1.121 0 O-C-N 119.991 -1.693 . . . . 0.0 116.519 168.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.41 141.82 40.72 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.858 2.063 . . . . 0.0 115.075 -167.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 92.1 m -119.67 119.01 32.46 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 120.081 -1.637 . . . . 0.0 107.07 168.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mt -98.38 97.11 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 61.1 m -81.49 115.1 20.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 120.307 -1.496 . . . . 0.0 110.545 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.81 137.26 54.98 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 121.268 -0.895 . . . . 0.0 111.631 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.97 106.2 15.45 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 163.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -108.3 164.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 122.858 1.313 . . . . 0.0 111.701 -176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.79 163.35 24.35 Favored Pre-proline 0 N--CA 1.439 -0.981 0 C-N-CA 125.91 1.684 . . . . 0.0 111.31 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 -15.14 19.91 Favored 'Trans proline' 0 C--N 1.331 -0.362 0 C-N-CA 121.759 1.64 . . . . 0.0 111.508 163.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.9 -13.84 38.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 127.602 2.361 . . . . 0.0 113.432 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.22 118.34 4.29 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 124.818 1.247 . . . . 0.0 114.271 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -84.39 170.17 13.85 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.38 -42.07 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 O-C-N 119.646 -1.909 . . . . 0.0 112.525 -169.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -60.8 -25.87 66.88 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 120.19 -1.569 . . . . 0.0 114.308 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -71.42 -42.61 68.08 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.308 -1.495 . . . . 0.0 110.692 172.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.74 -44.63 99.06 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.309 -1.494 . . . . 0.0 111.871 168.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -57.82 -37.94 74.69 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 119.968 -1.708 . . . . 0.0 113.752 172.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.0 93.0 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.64 -1.287 . . . . 0.0 113.094 172.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -69.02 -30.71 69.15 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.759 -1.213 . . . . 0.0 112.806 172.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -71.67 -34.49 52.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 119.631 -1.918 . . . . 0.0 111.62 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -62.5 -46.97 86.01 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.221 -1.55 . . . . 0.0 113.054 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -53.82 -63.81 1.03 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.244 1.817 . . . . 0.0 111.665 168.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -54.97 25.04 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -113.01 0.0 14.89 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.797 -1.815 . . . . 0.0 114.055 -171.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.68 21.23 58.34 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 120.429 -1.42 . . . . 0.0 116.495 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -103.5 118.98 56.3 Favored Pre-proline 0 CA--C 1.538 0.512 0 O-C-N 120.518 -1.577 . . . . 0.0 111.723 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -67.92 167.01 22.67 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 CA-C-N 123.71 2.361 . . . . 0.0 115.232 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -60.54 -73.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.956 2.438 . . . . 0.0 118.09 -166.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.74 13.66 0.78 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.676 2.035 . . . . 0.0 113.734 -171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.2 -24.1 32.56 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 119.339 -2.1 . . . . 0.0 110.637 162.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -90.3 142.65 27.51 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.383 1.473 . . . . 0.0 112.29 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -132.3 115.2 15.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.878 -1.139 . . . . 0.0 110.015 168.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.26 129.4 34.86 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.687 -1.258 . . . . 0.0 112.142 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.56 131.26 56.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 C-N-CA 126.841 2.057 . . . . 0.0 109.204 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -113.49 123.04 49.08 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 165.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.93 -88.4 0.02 OUTLIER 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.17 1.388 . . . . 0.0 113.452 -171.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -140.0 13.12 3.1 Favored Glycine 0 C--N 1.344 0.973 0 O-C-N 121.102 -0.999 . . . . 0.0 112.491 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -105.86 132.77 51.56 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.772 -1.428 . . . . 0.0 109.604 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.56 140.36 34.54 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.808 -1.182 . . . . 0.0 110.399 168.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.45 151.91 23.62 Favored 'General case' 0 N--CA 1.445 -0.715 0 O-C-N 120.919 -1.113 . . . . 0.0 112.843 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -80.29 164.61 23.05 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 163.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.38 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 127.121 2.168 . . . . 0.0 115.959 -172.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.38 42.31 1.21 Allowed Glycine 0 C--N 1.355 1.613 0 O-C-N 120.208 -1.558 . . . . 0.0 116.395 -173.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -112.23 148.76 33.43 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 126.564 1.946 . . . . 0.0 106.885 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -91.67 164.03 13.88 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 123.096 1.427 . . . . 0.0 113.286 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.54 -30.72 70.83 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 119.562 -1.961 . . . . 0.0 112.952 168.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -65.03 -45.19 86.51 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.853 -1.154 . . . . 0.0 113.851 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.67 -52.0 61.37 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.496 1.919 . . . . 0.0 112.301 171.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -71.68 -9.0 57.59 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.495 -2.003 . . . . 0.0 115.988 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.6 t30 60.16 41.74 16.46 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.624 1.57 . . . . 0.0 113.206 -170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.77 87.39 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -96.19 -161.82 0.9 Allowed 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.794 -1.191 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.48 150.42 48.39 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 120.074 -1.642 . . . . 0.0 114.023 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . 0.25 5.0 mp0 67.13 2.57 2.82 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.942 2.097 . . . . 0.0 114.951 -174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -64.95 124.67 22.65 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.759 -1.838 . . . . 0.0 113.52 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.4 m -90.19 114.62 26.64 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.215 -0.928 . . . . 0.0 110.032 174.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 mt -99.64 158.12 15.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -120.61 117.53 27.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 122.177 0.989 . . . . 0.0 110.049 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -91.96 125.61 36.73 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.451 1.9 . . . . 0.0 110.549 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.32 170.68 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 168.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 77.7 mt -122.51 121.35 36.34 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 121.018 -1.051 . . . . 0.0 110.7 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.206 1.002 . . . . 0.0 110.559 173.698 . . . . . . . . 1 1 . 1 stop_ save_