data_2lwi_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 2lwi _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 70.24 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -125.93 144.21 50.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 72.13 110.793 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.82 110.48 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 71.11 110.825 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 21.6 m-85 -101.87 107.62 18.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -89.18 95.4 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 70.44 110.817 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -90.01 110.2 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.12 111.045 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.85 104.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.047 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.95 119.71 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.58 150.25 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 71.43 111.046 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.42 -73.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.635 -0.793 . . . . 72.45 112.549 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -179.46 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 73.32 111.074 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.81 -29.07 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 73.1 112.449 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.89 32.37 2.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 72.35 112.471 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.44 -26.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 74.01 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.11 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 63.24 112.635 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -60.76 -43.96 97.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 75.25 110.736 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -63.48 -43.0 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.18 94.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 70.23 111.148 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.61 -29.09 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -67.4 -56.6 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 72.44 110.967 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 40' ' ' TYR . 44.8 mm -54.17 -29.75 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 64.32 111.277 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.946 0.403 . . . . 65.02 110.593 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -67.33 -17.22 64.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.544 . . . . 72.4 111.165 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 42.0 mm -90.81 -69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 73.24 111.79 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.441 -0.345 . . . . 73.41 111.688 -179.167 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' CE1' HD11 ' A' ' 21' ' ' ILE . 10.9 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.722 0.296 . . . . 74.24 110.806 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -108.75 127.42 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 74.34 110.899 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.66 145.97 50.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -92.25 131.98 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.727 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 m -145.92 179.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 72.52 111.226 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -126.7 100.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 65.11 111.048 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.3 mt -116.95 136.98 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 65.03 111.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.21 28.25 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.921 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.72 32.02 77.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 65.24 112.551 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -146.08 106.39 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.53 111.002 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -61.76 125.66 24.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 62.41 110.739 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 96.5 m -148.83 163.65 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.34 111.074 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.09 148.16 25.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 75.55 110.596 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -121.98 81.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 75.11 111.108 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 98.31 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.821 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.1 mm -89.03 112.01 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.17 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.6 118.99 35.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 74.52 110.53 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.6 97.3 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.643 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.9 p -75.2 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.935 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.41 110.996 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.464 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.0 mmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.016 0.436 . . . . 74.35 110.386 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -59.76 4.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.772 -0.649 . . . . 75.13 111.476 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -49.46 -27.14 3.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 64.33 111.63 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -81.65 -38.37 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.416 -0.356 . . . . 75.02 111.267 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 67' ' ' MET . 21.4 m-85 -68.33 -36.17 78.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 74.33 111.548 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 78' ' ' PHE . 1.6 mtt -66.54 -38.17 86.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.012 0.434 . . . . 64.44 110.266 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -79.06 -14.79 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 72.31 111.492 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.0 p -100.6 -21.12 15.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.788 0.328 . . . . 72.3 110.819 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.98 149.72 20.1 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.831 -0.7 . . . . 72.02 113.172 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.03 -18.11 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 75.11 110.789 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.93 164.63 32.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.02 -0.61 . . . . 74.14 112.166 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 15.4 m-85 -128.28 142.92 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 75.24 111.17 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.04 117.16 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 74.33 110.814 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.74 104.16 16.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 64.42 110.942 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.82 132.9 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.03 110.91 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -144.85 152.39 40.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.796 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.7 123.78 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 72.11 111.024 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 pt -57.88 -30.3 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 73.5 110.96 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.53 -16.77 62.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.851 -0.613 . . . . 73.4 111.076 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.49 104.38 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 74.43 111.007 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 m -65.42 -25.2 67.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.939 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -68.03 -41.91 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 63.23 110.68 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -58.89 -37.45 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.81 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -61.04 -28.08 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 74.41 110.77 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.7 -37.34 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 75.01 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 72.43 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mm -59.66 -27.38 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 74.03 110.819 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.61 -55.36 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.14 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -30.03 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.445 -0.343 . . . . 71.4 111.116 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -63.28 -43.78 96.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 73.34 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -61.3 -38.39 86.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 74.24 111.065 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.18 -29.03 44.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.046 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -43.27 45.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.749 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.407 HG22 ' CE1' ' A' ' 78' ' ' PHE . 61.9 mt -59.61 -50.45 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.51 110.982 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.01 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 64.03 111.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.39 -52.14 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 73.44 111.051 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -22.46 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 74.21 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.0 t0 64.38 47.93 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 72.0 110.736 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.27 136.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 73.5 110.737 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.78 -37.59 73.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 65.21 111.054 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -93.38 91.09 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.183 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -115.32 153.36 47.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.879 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 105.99 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.492 2.128 . . . . 75.4 112.262 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.8 ptp -154.29 170.74 20.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.926 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.54 149.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.139 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.46 103.25 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.83 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.1 t -102.0 145.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.54 111.219 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.32 90.01 0.54 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 64.21 112.418 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.72 168.92 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.4 111.027 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt 61.96 67.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.7 t -104.47 -14.98 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 44.14 111.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -85.42 -24.55 27.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 55.43 111.151 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.86 165.38 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.35 . . . . 75.3 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.46 26.21 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 54.33 111.485 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -147.02 65.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 72.02 110.986 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -79.35 124.89 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 74.25 111.264 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.2 p -94.79 -41.32 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 75.43 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.03 94.17 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.022 -0.536 . . . . 73.43 110.666 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.86 157.93 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 74.52 111.036 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 p -56.84 -29.85 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 62.33 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -59.55 -43.14 93.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 75.4 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -34.29 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 72.51 110.999 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 141' ' ' TYR . . . -79.57 -36.53 38.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.24 111.085 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.59 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.88 -29.14 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.843 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.0 tp -80.45 -50.42 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.894 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.75 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -31.28 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 72.4 110.566 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -74.87 -27.91 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.603 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.4 -17.26 39.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 70.03 111.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.42 15.64 61.74 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.7 -0.762 . . . . 64.13 112.386 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.7 pt -112.6 156.85 41.76 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.763 0.316 . . . . 74.43 111.515 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.06 153.62 52.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.586 2.19 . . . . 75.51 112.327 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 130' ' ' ALA . 65.0 t80 -123.56 117.92 26.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.692 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.16 158.15 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.107 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -123.84 131.51 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.828 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 33.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 74.41 111.063 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -142.29 114.54 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.52 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.75 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.02 111.46 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -85.91 -66.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.341 . . . . 64.14 111.236 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -20.62 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.264 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 64.66 67.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 71.41 110.746 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.66 121.52 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.974 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.3 27.32 31.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 55.33 112.794 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.26 -55.27 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 75.54 111.108 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 59.8 mt-10 -66.79 -27.88 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 70.15 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -36.44 73.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 74.54 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -71.43 -48.39 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.035 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 47.7 m-85 -61.19 -48.44 81.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.05 110.786 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.1 m-85 -50.48 -31.27 14.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 75.04 110.95 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.4 m -60.4 -39.18 86.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.109 -0.496 . . . . 63.02 110.86 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -48.01 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 75.23 110.953 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.89 -38.87 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 63.14 111.051 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -69.82 -30.05 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.85 -50.2 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 62.02 110.838 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.17 -45.06 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.179 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -57.54 -44.56 85.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 75.33 110.978 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -79.17 -21.36 46.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.03 111.179 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.15 -0.929 . . . . 74.31 110.868 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.807 0.337 . . . . 75.32 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 149.8 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.701 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.34 109.53 21.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -97.01 129.32 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.715 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -106.2 93.55 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.989 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.56 132.04 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 72.41 111.009 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.14 137.38 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.24 111.226 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.71 123.45 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.987 -0.551 . . . . 75.05 111.2 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.6 m -104.16 166.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 75.25 110.979 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.28 169.08 41.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.652 -0.785 . . . . 74.11 112.541 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.69 27.68 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 73.03 111.247 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.31 60.27 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.696 -0.764 . . . . 73.11 112.801 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.89 31.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 72.13 112.214 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 m -106.67 -22.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.21 111.241 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.24 11.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.671 -0.776 . . . . 73.13 112.398 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.35 -32.34 73.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.11 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 p -76.32 -43.76 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 62.31 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.77 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 63.52 111.187 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.2 -36.22 81.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 74.22 110.767 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -70.51 -55.62 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 70.24 111.057 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.16 -30.44 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.371 -0.377 . . . . 75.43 110.958 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -59.94 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 74.32 110.625 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.0 tp -76.68 -11.38 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 74.45 111.285 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -103.22 -72.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.713 0.292 . . . . 74.43 111.435 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 75.33 111.516 -179.611 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.773 0.32 . . . . 75.41 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ptt-85 -145.66 116.02 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 73.11 110.941 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -107.42 131.3 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 73.53 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -88.13 119.69 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.803 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.65 -179.29 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.242 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.0 102.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.147 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -111.71 135.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.99 31.35 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.51 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.7 84.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 65.12 112.5 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -144.63 108.4 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 75.23 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -60.5 120.03 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.785 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.8 m -144.65 149.45 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.925 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 145.52 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 mt -120.01 84.06 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.811 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.7 90.6 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mm -78.38 114.82 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.778 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -98.27 121.57 40.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 75.1 111.026 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.63 101.87 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.723 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 p -79.6 -173.88 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.056 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 74.43 111.157 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 mmt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.979 0.419 . . . . 72.53 110.674 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -55.92 -56.91 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 73.32 111.361 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.25 -30.15 2.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.96 0.41 . . . . 72.25 110.752 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HG3' HG21 ' A' ' 74' ' ' THR . 6.1 tp60 -79.71 -44.79 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 71.34 110.172 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 56' ' ' LEU . 37.7 m-85 -56.44 -30.84 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.53 . . . . 73.3 111.111 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.439 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -74.0 -38.84 63.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 73.35 109.823 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -81.48 -21.01 38.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.641 -0.709 . . . . 72.14 111.225 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.411 HG21 ' HG3' ' A' ' 70' ' ' GLN . 58.6 p -98.0 0.49 46.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.558 -0.292 . . . . 54.22 110.73 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -114.82 150.17 18.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.688 -0.768 . . . . 62.53 113.289 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -19.3 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 75.12 110.556 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.26 178.28 24.99 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.993 -0.622 . . . . 42.52 112.282 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 72' ' ' MET . 45.9 m-85 -143.01 133.31 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.24 111.067 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.89 123.61 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 71.11 110.756 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 91.1 m -96.86 116.32 28.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.928 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.45 117.22 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.4 111.185 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.89 141.22 47.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.566 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.25 123.59 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 75.22 111.098 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 pt -59.32 -21.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.3 111.107 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.8 -34.9 51.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 74.32 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -99.37 114.23 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.3 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -72.25 -28.1 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -61.13 -39.44 90.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.372 -0.376 . . . . 74.24 110.553 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.1 m -63.24 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.707 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -62.84 -43.26 99.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 74.11 110.746 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.05 -27.5 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 53.23 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -69.11 -34.7 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 75.21 110.923 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.69 -25.75 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.859 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -77.54 -55.37 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.791 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -28.27 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 73.34 111.039 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.78 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 73.21 110.948 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.82 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.685 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.0 -31.52 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 64.41 110.98 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -39.28 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.96 -45.79 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.051 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -55.25 -27.56 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.945 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -74.91 -57.82 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.896 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.17 -53.61 46.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -27.97 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.972 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t70 63.51 47.17 3.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -173.27 141.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -74.76 -35.87 62.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.54 85.68 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.53 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 153.35 51.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.27 108.99 2.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.589 2.193 . . . . 73.53 112.363 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.41 170.0 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.811 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.8 t -147.11 149.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 75.42 111.373 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 tp -109.15 102.89 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 74.43 110.576 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.1 t -92.45 144.82 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.3 111.296 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.21 88.57 0.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.825 -0.702 . . . . 73.01 112.375 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.04 173.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.11 111.022 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 58.88 61.53 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.944 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.7 -0.05 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.34 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -102.59 -28.89 11.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.768 0.318 . . . . 63.05 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -54.9 150.36 10.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.032 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.26 35.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 63.31 111.274 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.13 71.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.3 111.072 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.98 109.88 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 71.13 110.761 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.9 p -84.0 -56.02 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.664 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.6 t -79.78 105.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.905 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.48 160.85 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.962 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.7 m -63.83 -38.56 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.41 111.022 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.26 -46.54 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.961 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -62.72 -41.6 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.957 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.43 81.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.183 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -30.23 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.022 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.75 -35.83 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 65.02 110.965 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -81.28 -51.5 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.52 111.025 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.39 69.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 65.22 111.124 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.66 -31.67 70.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.801 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -72.1 -40.6 68.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -67.56 -22.29 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 74.4 111.005 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.11 17.62 64.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.02 112.43 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.2 pt -110.42 157.02 39.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 74.42 111.452 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.78 151.58 63.38 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 64.23 112.234 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -123.19 118.13 26.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.95 143.97 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -112.79 132.17 55.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -144.56 -178.18 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 74.52 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 65.32 110.947 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.66 -20.63 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.437 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 73.1 111.244 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 p -70.96 -23.59 62.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 73.11 111.23 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.69 66.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 75.45 110.717 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.18 121.64 41.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 75.43 110.9 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.51 57.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.763 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 37.3 t -56.4 -55.15 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.917 0.389 . . . . 74.53 111.053 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.0 mp0 -61.47 -28.91 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 74.03 110.794 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.76 63.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.51 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.401 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.86 -50.27 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 74.1 111.009 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 21.1 m-85 -56.12 -28.55 58.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 71.54 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.9 m -58.37 -43.04 88.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.03 110.809 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.34 -47.13 87.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.629 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.57 -46.59 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 61.03 111.154 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -37.58 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.736 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.99 -48.34 71.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.773 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.19 -49.98 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.094 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.68 -45.1 66.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.953 -0.567 . . . . 73.13 111.212 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.56 -24.47 42.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 75.14 111.188 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.238 -0.887 . . . . 71.3 110.875 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.964 0.411 . . . . 70.12 111.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.16 149.95 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 72.11 110.462 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.28 120.36 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -108.29 114.62 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.964 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -88.16 99.7 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.94 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.9 112.24 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.806 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.19 102.04 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 71.51 110.917 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -84.13 137.39 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 75.55 110.975 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -148.34 152.57 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.983 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.27 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 75.33 112.594 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.79 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.681 0.277 . . . . 74.14 111.356 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.35 54.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.789 -0.72 . . . . 62.42 112.196 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.43 -22.82 0.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.837 -0.697 . . . . 54.25 112.61 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -50.31 -26.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.751 0.31 . . . . 72.12 111.44 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 22.03 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 63.12 112.703 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -39.36 87.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 75.4 110.7 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.51 110.808 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -59.91 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 53.25 111.368 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -57.42 -29.27 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.055 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.427 HG23 ' CE1' ' A' ' 40' ' ' TYR . 87.5 m -63.18 -45.9 89.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 43.23 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.2 mm -71.39 -33.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.171 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -58.42 -41.94 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 73.32 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.25 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.01 111.07 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -82.28 -69.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.42 111.431 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 116.488 -0.323 . . . . 62.15 110.935 -179.812 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CE1' HG23 ' A' ' 20' ' ' THR . 7.8 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 74.15 110.921 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -135.63 131.28 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 74.03 111.059 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -145.61 146.59 31.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 71.22 110.88 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.23 137.25 34.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 75.32 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -145.63 176.14 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 75.12 111.116 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.94 101.52 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.161 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mt -127.5 138.18 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.068 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.56 30.31 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.911 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.07 30.53 73.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 61.24 112.51 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -141.67 98.13 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 74.45 110.964 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 120.09 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.808 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.1 m -145.46 155.33 43.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.036 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 148.63 33.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.779 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 mt -114.3 89.27 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.988 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.83 96.19 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.45 110.782 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.9 mm -80.52 114.77 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 61.02 111.082 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 71' ' ' TYR . 3.0 tm? -103.86 106.3 16.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 72.53 110.692 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.7 114.05 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.902 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 p -78.75 -173.75 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 62.32 110.805 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 71.11 111.215 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.7 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 75.23 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 36.7 ttp85 -52.38 -42.66 64.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.718 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -66.02 -39.22 90.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.522 . . . . 75.5 110.385 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.14 -39.39 89.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.31 110.638 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.488 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 44.6 m-85 -57.83 -33.72 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.085 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.68 -40.1 76.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.046 0.451 . . . . 74.44 109.87 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 -81.28 -12.99 58.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.822 -0.626 . . . . 74.33 111.271 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.488 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 70.1 p -97.81 -19.67 18.01 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.843 0.354 . . . . 74.34 110.718 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -95.93 158.4 21.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.689 -0.767 . . . . 74.11 113.408 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -101.56 -15.47 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 71.22 110.742 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.79 163.47 29.36 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.91 -0.662 . . . . 65.31 112.376 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 4.5 m-85 -130.93 143.31 50.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 74.14 111.214 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.86 117.7 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 74.45 110.887 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.06 102.83 14.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -111.74 129.48 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.54 111.167 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -143.54 163.55 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.9 129.17 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.004 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 pt -67.5 -31.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.258 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -65.57 -19.6 65.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 62.44 111.043 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -121.11 104.95 10.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 74.44 110.829 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.47 -27.23 68.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 62.25 111.08 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -55.27 -46.57 76.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 73.02 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -57.45 -40.96 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.642 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE1' HD22 ' A' ' 133' ' ' LEU . 37.6 t80 -61.15 -27.0 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 75.13 110.566 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.76 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 71.5 110.853 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -75.12 -31.31 61.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.65 -36.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 75.53 110.643 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -64.42 -55.47 20.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 64.33 110.809 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -67.1 -29.9 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 70.3 111.189 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.75 -54.91 36.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 73.24 111.039 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 ttm-85 -50.84 -37.05 40.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 71.42 111.347 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.52 -37.92 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.381 . . . . 74.45 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.06 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.12 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 78' ' ' PHE . 43.5 mt -74.96 -38.45 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.325 -0.398 . . . . 64.41 110.925 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.03 -54.19 44.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 75.53 111.014 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.16 76.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 74.03 111.414 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.5 -65.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 75.23 111.136 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 5.4 mtpm? -59.34 -23.22 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 73.33 111.051 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t0 63.32 52.11 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 73.31 110.938 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.31 150.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.43 110.825 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -88.24 -30.64 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -93.75 85.18 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.921 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.9 m -124.38 152.56 68.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 70.32 111.095 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.18 107.08 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.572 2.181 . . . . 73.35 112.437 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 6.1 ptp -150.24 173.11 14.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.901 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 t -150.7 161.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 73.4 111.155 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.65 111.24 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.846 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 24.2 t -109.19 155.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.257 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.93 92.39 0.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 53.14 112.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 165.87 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 72.44 111.066 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 60.89 58.97 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.952 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.85 -4.77 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 63.23 111.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.36 -15.02 15.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 73.45 111.343 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 mt -49.81 151.16 1.88 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.798 0.332 . . . . 72.41 111.175 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -99.71 16.74 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.61 61.11 1.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.834 0.349 . . . . 70.23 111.042 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -79.53 156.18 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.024 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -125.34 -47.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.794 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.1 t -96.3 96.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.032 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -58.21 159.6 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 53.53 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.2 t -55.96 -29.83 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 65.42 111.066 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -59.78 -46.22 89.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.54 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.34 -31.71 73.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 65.21 110.999 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.74 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 65.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -32.21 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -67.73 -31.54 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.55 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 90' ' ' PHE . 20.9 tp -78.95 -51.28 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.53 98.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -27.17 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 75.34 110.959 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -76.45 -33.73 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 75.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 139' ' ' ILE . 22.2 m-85 -84.11 -4.95 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.21 111.407 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.81 21.89 75.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 62.22 112.544 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 137' ' ' TYR . 16.8 pt -112.8 153.85 45.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 73.21 111.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.08 163.81 37.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.526 2.151 . . . . 65.32 112.193 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 122.59 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mp -119.89 156.46 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.953 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -124.28 123.51 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.8 p -135.9 177.41 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.51 111.088 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -149.6 114.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 75.34 110.865 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.12 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 74.14 111.403 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -80.06 -66.29 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 75.2 111.202 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 p -72.83 -18.05 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 72.1 111.416 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.88 65.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 75.12 110.678 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 126.35 54.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 74.2 111.116 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 49.71 26.52 7.95 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.969 -0.634 . . . . 75.33 112.891 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.7 t -56.67 -55.33 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 75.21 111.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.0 mt-10 -65.61 -27.17 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 73.25 110.851 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -40.15 75.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.911 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.56 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.008 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.85 -47.16 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.79 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.7 m-85 -53.39 -34.58 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 73.35 110.955 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -59.13 -35.11 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.54 110.866 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.98 -36.86 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.003 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.12 -28.57 64.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 73.34 110.766 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -74.2 -50.29 19.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.942 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 163' ' ' ILE . 15.5 mt -59.54 -45.75 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.311 -0.404 . . . . 63.31 111.134 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -43.39 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.989 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.44 6.78 39.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.53 111.541 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.889 . . . . 62.14 110.825 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 73.44 111.228 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -65.49 149.77 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 72.33 110.549 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -106.86 119.63 39.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.984 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CZ ' HG22 ' A' ' 2' ' ' THR . 35.5 m-85 -107.66 108.59 19.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 74.31 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.33 98.37 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 75.53 111.025 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.0 mt -88.44 106.59 18.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 74.54 110.819 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.19 102.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 74.51 110.959 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.13 123.17 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 73.13 111.273 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -122.32 150.36 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 176.95 39.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 54.42 112.476 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.96 135.74 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.33 111.208 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 114.46 1.85 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.956 -0.64 . . . . 55.31 112.629 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.6 12.58 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 70.12 112.424 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.61 -26.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 74.43 111.16 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.8 15.33 31.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.05 112.603 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.343 . . . . 72.24 110.735 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -81.56 -31.75 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.4 110.849 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.3 111.285 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 75.23 111.069 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -62.71 -58.6 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.358 -0.383 . . . . 64.21 111.01 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.7 -28.59 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.265 -0.425 . . . . 75.42 111.072 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -58.91 -48.15 82.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 71.21 110.795 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 tp -75.87 -10.46 59.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 72.5 111.221 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.42 -69.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 74.33 111.337 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 73.42 111.198 -179.597 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.757 0.313 . . . . 75.04 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -111.75 138.69 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -133.23 146.43 51.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.813 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -96.33 120.25 36.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.004 -0.544 . . . . 73.44 110.773 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.98 176.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.406 . . . . 64.22 111.29 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 t -122.41 100.84 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 71.33 110.887 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.4 mt -116.49 132.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.87 35.77 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.01 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.29 35.59 79.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 74.43 112.547 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -147.38 110.31 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 74.45 110.871 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -59.03 119.93 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.754 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.31 148.84 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.051 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.77 137.96 32.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 72.13 110.745 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.1 mt -107.91 76.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.991 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.92 90.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.837 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.5 mm -77.2 112.74 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 70.01 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 71' ' ' TYR . 1.1 tm? -106.27 114.52 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.427 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -112.82 135.41 53.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -80.31 -173.72 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.54 111.265 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.4 ' HE1' ' HB3' ' A' ' 67' ' ' MET . 4.9 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.724 0.297 . . . . 73.12 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -53.79 -47.01 71.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 74.21 110.967 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -28.77 23.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.77 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -82.54 -46.35 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 72.11 110.61 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' CD1' HD13 ' A' ' 56' ' ' LEU . 53.6 m-85 -56.69 -38.69 72.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.312 -0.404 . . . . 73.31 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -53.01 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.206 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -64.72 -16.74 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.826 -0.624 . . . . 75.45 111.14 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 73.7 p -103.1 -0.77 30.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.375 -0.375 . . . . 73.53 111.126 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.43 157.61 15.01 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.549 -0.834 . . . . 71.53 112.947 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.8 -18.38 17.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 71.11 110.984 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.78 175.77 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.1 112.376 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.42 ' CD1' HG21 ' A' ' 100' ' ' ILE . 30.1 m-85 -141.36 140.35 33.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 72.3 111.148 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.95 121.73 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 72.35 110.791 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.9 m -96.08 114.03 25.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 75.04 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.4 113.73 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 63.15 111.047 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.3 p90 -128.1 143.68 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 124.75 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 62.21 111.072 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 pt -58.54 -31.12 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 74.34 110.944 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.63 -17.56 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 65.34 111.035 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -120.3 110.31 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.406 -0.361 . . . . 73.23 110.808 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.43 -25.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 75.03 111.153 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -61.4 -42.27 98.45 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.429 -0.35 . . . . 63.5 110.663 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -32.39 73.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.752 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.31 -51.99 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 74.43 110.773 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.17 -27.82 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 13.9 m-20 -70.6 -34.03 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 65.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.6 mm -60.03 -26.82 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 63.54 110.947 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -74.68 -55.46 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 74.11 110.762 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -65.87 -28.66 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.063 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.5 m-85 -58.99 -36.66 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 71.12 110.9 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -66.08 -35.82 81.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 72.41 110.706 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.95 -30.42 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -76.19 -37.01 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 78' ' ' PHE . 47.4 mt -70.01 -46.82 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.981 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -57.22 -34.57 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.967 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -58.94 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.973 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.12 -52.23 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.967 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -26.49 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t0 64.16 42.61 5.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -164.91 154.78 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -41.03 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.93 88.49 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.57 153.62 47.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.41 111.154 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.77 104.18 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 71.43 112.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.2 ptp -153.24 169.2 23.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.894 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.33 148.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 72.41 111.213 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 82' ' ' PHE . 3.6 tp -112.02 110.54 20.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 61.2 110.812 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.96 154.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.234 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.05 80.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 63.21 112.401 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.13 167.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 75.52 111.096 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.05 63.43 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 t -105.47 5.7 31.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.1 111.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.28 -29.79 8.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.823 0.344 . . . . 75.52 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.5 mt -55.51 150.14 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.056 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.63 35.92 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 62.11 111.156 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.2 52.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.33 111.155 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -74.8 139.22 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.6 p -111.86 -38.45 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.765 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 77.5 t -104.96 97.91 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.44 110.913 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.43 159.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.107 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 t -58.22 -48.49 80.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.315 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.31 -34.42 33.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 74.25 111.233 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.64 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 141' ' ' TYR . . . -79.51 -34.58 41.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 73.33 110.852 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 72.31 110.696 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.92 -46.53 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.691 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.66 -45.8 60.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.637 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.77 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.521 . . . . 70.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -40.96 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.827 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -73.58 -30.35 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.729 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 3.8 m-30 -77.31 -24.57 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 73.45 111.047 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.87 17.53 65.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 53.35 112.639 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.71 156.94 44.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 64.53 111.538 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.11 155.5 61.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.541 2.161 . . . . 65.4 112.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 130' ' ' ALA . 47.7 t80 -123.21 117.47 25.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.632 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.4 mp -122.46 152.41 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.137 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -116.87 133.29 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.773 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.1 p -141.91 173.25 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 65.52 111.248 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.17 118.94 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 73.25 110.67 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.59 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.516 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -82.96 -52.47 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 74.44 111.174 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -87.19 -19.24 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 65.15 111.397 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 63.13 63.68 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.946 0.403 . . . . 74.35 110.659 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.97 117.74 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 75.41 111.022 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.91 11.54 60.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.796 -0.716 . . . . 73.34 113.035 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.92 -41.31 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-O 120.84 0.352 . . . . 73.25 111.298 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.6 mt-10 -69.74 -30.53 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -55.68 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 65.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -52.74 -42.45 64.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 72.12 111.379 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.11 -50.77 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.2 m-85 -57.24 -25.54 59.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.14 111.081 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.5 m -57.5 -50.59 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 74.13 111.115 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.87 -38.08 64.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 74.12 110.832 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.41 -46.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.946 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.19 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.735 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.14 -51.01 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 72.2 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 55.1 mt -59.9 -44.37 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.029 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 72.02 110.799 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -104.12 25.27 10.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.037 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.256 -0.878 . . . . 74.0 111.031 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 72.31 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.89 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.51 110.749 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.3 113.01 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -102.92 129.02 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.025 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 11.7 mmtm -102.42 106.06 16.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.24 110.79 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.1 mt -95.54 109.4 21.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.143 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.403 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 6.1 t -88.38 102.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.887 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.91 129.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 72.2 111.268 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 m -138.2 154.5 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -171.15 -163.95 26.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 73.31 112.486 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.29 22.31 9.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.702 0.287 . . . . 72.41 111.339 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.19 -62.54 1.75 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.814 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.19 38.31 3.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 60.45 112.833 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.07 -27.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 75.2 111.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.94 26.23 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 74.54 112.494 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -65.03 -32.9 74.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.774 0.321 . . . . 72.31 110.816 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -74.21 -30.57 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 61.21 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.7 31.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.125 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.21 -30.35 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.107 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -65.83 -48.25 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 75.02 110.93 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.29 -31.37 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 72.05 110.765 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -61.21 -33.5 73.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 64.41 110.797 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.83 -48.37 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -72.28 -69.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 71.25 111.228 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 . . . . . 0 CA--C 1.539 0.52 0 CA-C-N 116.393 -0.367 . . . . 74.55 110.685 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 74.42 110.741 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -138.43 106.4 5.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -110.17 145.95 36.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.789 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -108.09 120.04 41.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.75 175.87 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 74.1 111.248 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.78 101.22 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 75.23 111.053 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mt -115.83 137.33 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 64.22 111.087 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.63 16.98 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 63.33 111.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.69 -19.26 49.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.634 -0.793 . . . . 72.41 112.917 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.47 154.51 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 72.45 111.05 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -90.02 130.31 36.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 73.32 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 m -150.48 147.03 27.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 60.43 111.053 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 159.12 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 73.41 110.718 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -127.27 91.19 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 75.44 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -79.8 100.92 8.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.805 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.5 mm -85.26 108.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 70.12 111.213 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD23 ' CG ' ' A' ' 71' ' ' TYR . 20.5 tp -90.26 123.51 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 73.14 110.664 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -113.46 86.34 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.058 -0.519 . . . . 73.22 110.895 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 26.2 p -75.48 179.45 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.0 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 73.41 111.163 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.729 0.3 . . . . 74.43 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -53.02 -47.08 68.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 75.4 111.059 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -40.52 85.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.786 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.55 -42.32 87.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.829 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.456 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 19.4 m-85 -59.39 -36.11 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 75.51 110.777 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HB2' ' CG1' ' A' ' 103' ' ' VAL . 1.9 mtt -67.81 -41.99 82.26 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.594 -0.521 . . . . 73.54 109.594 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 50.1 mtm180 -73.88 -11.84 60.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 74.35 111.007 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 p -99.49 -30.5 12.13 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.958 0.409 . . . . 73.52 110.717 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -87.32 155.97 27.73 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.868 -0.682 . . . . 72.04 113.998 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.92 1.32 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.401 -0.4 . . . . 72.12 110.614 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.3 140.73 5.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.132 -0.556 . . . . 54.53 111.947 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.442 ' CG ' HG12 ' A' ' 100' ' ' ILE . 9.7 m-85 -112.89 153.82 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 73.33 111.427 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.56 112.96 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.629 . . . . 74.53 110.817 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.5 m -91.38 103.1 15.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 52.1 110.81 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -112.16 130.99 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.24 111.146 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -142.27 162.41 35.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 74.31 110.811 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.27 123.7 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 54.43 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.56 -24.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.086 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.58 -30.7 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 51.15 110.809 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -107.96 112.62 25.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.3 m -70.09 -27.18 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.94 -30.06 70.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.606 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 m -71.79 -40.25 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.567 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.71 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.19 -29.32 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.34 110.932 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -75.97 -31.59 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 75.25 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.65 -30.48 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.945 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.73 -55.38 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.906 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -65.55 -28.46 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 74.42 111.174 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.87 -36.08 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 75.01 111.029 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 1.9 ttt180 -65.11 -35.29 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.761 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.88 -29.97 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.53 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.888 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.442 HG12 ' CG ' ' A' ' 78' ' ' PHE . 2.8 mp -61.35 -41.61 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 73.25 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.35 -34.31 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.35 110.93 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -71.81 -57.79 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.604 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 57.5 t -56.55 -53.9 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 75.31 110.995 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -24.16 67.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 75.12 110.918 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 t0 63.97 40.92 6.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 64.23 110.755 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 144.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 72.54 110.878 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.93 -39.84 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 71.13 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -77.79 94.52 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.42 154.74 77.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.175 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 101.05 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 73.34 112.338 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.6 mtm -134.31 169.36 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.73 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.6 t -144.99 155.79 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 73.22 111.179 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tp -130.77 108.6 9.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 73.04 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.34 141.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.1 84.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.801 -0.714 . . . . 64.54 112.435 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.81 165.17 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.44 110.986 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 60.77 74.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 t -107.34 -22.79 12.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 54.02 111.138 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.5 -29.79 52.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 72.24 111.154 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.22 152.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 73.05 111.183 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.71 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 63.2 111.304 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.04 66.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.12 109.15 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.782 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -80.84 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.574 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -77.18 109.28 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 75.34 110.902 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.43 157.89 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 65.2 111.052 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.7 p -66.5 -38.67 87.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 64.22 111.014 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -56.37 -43.42 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.02 -37.84 84.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.09 -36.53 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.3 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.2 -41.55 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.439 ' CD1' ' CE1' ' A' ' 137' ' ' TYR . 17.9 tp -73.33 -51.41 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.41 -44.95 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.167 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -41.63 87.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.845 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -73.23 -38.0 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.685 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.439 ' CE1' ' CD1' ' A' ' 133' ' ' LEU . 2.7 m-30 -63.04 -25.34 68.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 73.45 111.009 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.78 12.96 60.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 71.23 112.672 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.64 154.91 44.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.307 . . . . 64.13 111.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.48 158.71 53.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.575 2.183 . . . . 74.52 112.333 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -122.23 116.37 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -118.24 153.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.13 110.955 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -119.9 120.56 36.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.96 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 67.0 p -132.23 170.17 15.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.162 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.2 p -141.3 112.24 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 75.5 110.804 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.21 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.544 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.17 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 75.14 111.338 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -70.16 -21.58 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 63.43 111.312 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.64 72.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 74.15 110.662 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -126.85 122.08 33.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 62.32 110.857 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 60.71 17.01 48.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 75.35 112.908 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.23 -55.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.832 0.348 . . . . 72.24 111.044 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -27.57 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.749 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -49.39 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.949 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.86 88.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 72.42 111.28 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.45 -51.91 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 74.12 111.135 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.74 -32.37 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 75.33 111.035 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.3 m -57.84 -43.65 86.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 64.34 110.897 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.0 -42.46 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.666 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.7 t -51.7 -56.55 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.021 -0.536 . . . . 63.32 111.259 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -34.96 71.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.191 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.73 -49.47 62.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 74.12 111.081 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 78.2 mt -55.86 -35.35 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.385 -0.37 . . . . 71.21 111.169 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -30.61 69.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.53 110.691 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.27 27.53 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.41 111.064 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.275 -0.869 . . . . 75.44 110.972 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.784 0.326 . . . . 72.34 111.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.2 149.77 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.821 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.02 115.32 30.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.1 120.53 42.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 74.15 111.072 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CB ' ' HA2' ' A' ' 75' ' ' GLY . 2.8 mmtm -101.83 96.44 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.824 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.82 116.14 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 70.2 111.126 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.7 t -94.89 106.41 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.33 147.68 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 72.34 111.307 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -154.91 148.33 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.073 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . 139.98 74.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.654 -0.784 . . . . 72.14 112.796 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 55.9 -163.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.693 0.282 . . . . 74.22 111.197 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 0.03 6.63 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.757 -0.735 . . . . 74.35 113.136 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -10.72 10.22 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.691 -0.766 . . . . 74.44 112.71 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 10' ' ' GLY . 26.1 m -56.56 -31.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 73.51 111.234 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.9 24.06 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 63.04 112.373 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -59.04 -32.59 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 73.54 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -34.46 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.846 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -58.13 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -56.52 -26.38 54.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.033 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.7 m -69.68 -58.35 4.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 74.31 110.788 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 49.6 mm -57.52 -33.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.007 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -58.93 -44.98 91.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.51 110.756 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.58 -5.74 48.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.41 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.62 -70.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 72.52 111.042 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 74.42 111.382 -179.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 21' ' ' ILE . 6.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.854 0.359 . . . . 72.34 111.068 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -145.73 108.5 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.926 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -117.45 145.93 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.1 140.78 30.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -150.93 158.75 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.066 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.65 100.87 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.058 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.4 mt -123.21 134.44 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.996 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.5 32.86 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.86 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.46 26.81 62.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 74.13 112.574 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -143.16 110.56 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.11 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 127.72 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.869 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -147.77 143.21 27.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.42 111.028 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.44 147.02 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.606 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.22 103.03 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 73.04 111.006 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -96.12 99.86 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.81 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.3 mm -86.07 108.53 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 73.41 111.031 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 71' ' ' TYR . 2.1 tt -85.24 127.28 34.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 65.34 110.981 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -109.59 88.22 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.718 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 p -80.55 -176.3 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.013 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 60.41 111.185 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.787 0.327 . . . . 75.45 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -55.14 23.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.394 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -48.92 -34.94 13.81 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.199 0.524 . . . . 73.02 110.296 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -62.43 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.431 -0.804 . . . . 73.32 111.606 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HA ' ' OG1' ' A' ' 74' ' ' THR . 37.9 m-85 -49.1 -27.72 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.12 -0.945 . . . . 74.44 111.092 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -42.55 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.122 0.487 . . . . 74.22 109.707 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HG3' HG12 ' A' ' 103' ' ' VAL . 5.9 mtp-105 -81.65 -18.7 43.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.628 -0.714 . . . . 64.34 111.591 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.436 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 43.7 p -97.68 -16.12 20.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.736 0.303 . . . . 75.11 111.052 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 5' ' ' LYS . . . -95.8 162.32 23.12 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.627 -0.797 . . . . 42.31 113.167 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -104.74 -15.2 15.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 75.45 111.046 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.61 -173.28 21.24 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.871 -0.681 . . . . 71.45 112.273 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -151.76 129.36 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.21 111.043 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.86 120.53 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 73.13 110.842 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.2 m -94.65 109.71 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.873 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -105.01 113.14 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.05 111.165 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -125.4 139.99 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.771 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.16 123.73 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 73.13 111.085 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.74 -26.5 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 73.55 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -76.89 -30.28 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.897 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.1 109.9 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 75.35 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -70.42 -20.68 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 70.32 111.21 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.1 -46.55 80.63 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.822 0.344 . . . . 72.23 110.652 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.94 -31.01 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 74.35 110.727 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.55 -53.01 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 65.53 110.87 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.39 -28.81 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 72.12 111.1 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -67.74 -31.51 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 71.41 110.962 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.5 mm -61.46 -28.36 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 74.41 110.913 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -74.13 -55.34 6.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.822 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -28.62 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.0 m-85 -64.98 -47.01 79.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 71.43 110.831 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -37.14 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.945 -0.57 . . . . 74.45 110.95 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.06 -36.16 83.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 71.03 110.984 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -32.98 73.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 72.34 111.003 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.2 mt -74.03 -44.44 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.117 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -41.55 65.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 75.44 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -58.85 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.81 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.406 HG12 ' HG3' ' A' ' 73' ' ' ARG . 60.1 t -56.65 -64.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.0 111.074 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.12 -25.33 63.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.729 . . . . 73.42 110.935 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t0 61.59 45.77 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 73.11 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 t -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 71.11 110.838 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -81.49 -33.46 31.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.25 110.956 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.48 85.41 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.004 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.14 153.63 53.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 73.25 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.23 109.05 2.63 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.563 2.175 . . . . 75.42 112.489 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.5 ptp -156.37 168.52 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.2 t -145.57 153.82 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.21 111.327 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 tp -115.75 116.57 28.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.904 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.4 t -113.21 146.28 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.14 111.24 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.28 85.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.861 -0.685 . . . . 75.55 112.381 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.29 175.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 74.44 111.037 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 tttt 60.48 47.93 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 74.25 111.042 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.4 t -105.94 19.71 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 63.24 111.267 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.97 -15.11 11.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.535 -0.302 . . . . 72.45 111.752 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.02 170.57 10.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 73.15 111.101 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.77 50.67 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.162 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -148.12 72.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.012 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.12 106.89 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.785 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -83.58 -48.57 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 72.25 110.615 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.15 95.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 74.44 110.778 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.94 157.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.178 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.11 -39.5 86.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 52.21 111.028 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -53.01 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 75.12 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.12 -45.11 71.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 71.2 111.091 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.92 -33.27 68.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 72.4 111.158 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -42.78 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.925 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.67 -35.77 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.946 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.28 -51.37 17.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.56 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -28.7 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -73.31 -37.54 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 53.02 110.755 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -76.28 -22.16 55.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 75.1 111.021 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.59 61.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 61.22 112.508 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 pt -110.92 156.86 40.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 74.33 111.373 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.35 153.93 61.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.541 2.161 . . . . 74.23 112.41 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -123.63 104.29 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.704 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.33 150.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.084 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.51 129.92 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.736 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -143.89 -177.37 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.25 111.047 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -144.78 124.8 13.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 62.02 110.738 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.82 -14.49 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 72.45 111.514 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.31 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 73.42 111.373 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -111.87 -24.64 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 73.42 111.288 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 72.22 45.62 0.37 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 73.13 110.673 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.18 117.2 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.02 111.232 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.25 11.22 58.69 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.999 -0.62 . . . . 70.14 113.338 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.57 -36.53 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.924 0.362 . . . . 73.4 111.216 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.4 mt-10 -72.77 -32.83 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 60.53 110.915 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -52.63 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.36 44.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.414 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 23' ' ' LEU . 26.0 m-85 -59.24 -51.25 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.6 m-85 -55.25 -32.0 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.967 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.5 m -58.71 -44.37 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 64.25 110.979 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.68 -41.32 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.058 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.69 -43.68 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 72.13 111.086 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -70.55 -27.08 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.7 -48.04 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.11 111.125 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.01 -38.87 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.357 -0.383 . . . . 74.5 111.202 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.9 41.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.3 -29.49 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 72.5 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.263 -0.875 . . . . 75.02 110.857 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.988 0.423 . . . . 74.02 111.346 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 146.66 37.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.804 -0.635 . . . . 73.41 110.842 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.12 118.92 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.736 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.34 117.35 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.162 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -84.48 106.92 16.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 74.41 110.747 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.62 95.29 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 74.14 110.869 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.54 108.24 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.112 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.35 140.12 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.92 -177.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 70.43 111.062 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 129.84 157.61 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 33.31 112.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 151.15 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 73.54 111.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.75 -24.55 13.17 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.807 -0.711 . . . . 53.4 112.733 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.04 65.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.652 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.8 16.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.621 0.248 . . . . 73.23 111.462 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 25.71 34.62 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.726 -0.749 . . . . 63.34 112.675 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -44.86 91.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 74.34 110.838 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -69.22 -25.26 64.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.1 111.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.32 -50.76 70.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 72.54 111.326 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.13 -34.58 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.52 110.962 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.64 -56.3 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 64.44 111.188 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.79 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.291 -0.413 . . . . 73.53 110.783 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.45 -50.81 57.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.857 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.24 -52.07 56.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 64.52 110.822 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.19 -56.43 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 116.163 -0.471 . . . . 64.15 110.152 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.864 0.364 . . . . 73.44 110.736 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -146.3 132.07 19.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.15 110.836 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.35 110.898 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -104.24 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.727 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.17 177.69 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.264 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.76 101.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.33 111.001 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.3 mt -115.33 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 60.69 34.04 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.852 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.03 28.24 68.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.508 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.97 114.29 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 73.14 110.938 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -62.31 122.47 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.9 m -145.25 150.8 37.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.81 147.83 27.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 75.32 110.869 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -124.0 95.55 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.758 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 96.63 9.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.921 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mm -89.68 108.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 74.4 111.055 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.51 130.59 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.508 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.32 105.41 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 61.14 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 p -75.49 -174.44 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.762 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.176 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.6 mtp . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.695 0.283 . . . . 73.23 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -50.82 -37.86 45.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.829 0.347 . . . . 74.04 110.499 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -33.81 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 71.25 110.296 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -69.82 -41.29 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 75.23 110.36 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -58.57 -39.1 79.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.2 mtt -63.5 -37.03 85.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.335 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -81.17 -10.15 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.754 -0.657 . . . . 75.52 111.052 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.7 p -102.07 -20.62 14.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.433 -0.349 . . . . 64.4 110.957 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -103.7 169.18 17.89 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.607 -0.806 . . . . 54.24 113.025 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.04 -15.18 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.7 0.286 . . . . 71.5 111.1 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.69 -176.86 19.06 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.356 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CE1' HG22 ' A' ' 100' ' ' ILE . 57.4 m-85 -154.65 140.7 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 73.13 110.993 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.61 127.27 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 75.1 110.865 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 m -97.71 113.71 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.91 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.09 117.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.89 153.79 45.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.522 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.72 123.62 41.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 62.51 111.086 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 pt -60.35 -21.83 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.14 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.3 -31.36 26.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 75.23 110.792 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.97 111.79 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.956 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -72.45 -28.5 62.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.858 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -61.64 -40.09 93.65 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.596 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.6 m -61.38 -31.35 71.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.776 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CD2' HG13 ' A' ' 125' ' ' VAL . 9.6 t80 -60.47 -52.87 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.828 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.17 -28.07 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.929 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -71.69 -32.35 67.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 75.24 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.3 mm -60.65 -30.93 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.76 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.24 -55.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.936 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -66.45 -30.12 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.32 111.064 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.428 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -59.4 -44.71 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 72.24 110.874 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.15 -33.58 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.54 -32.71 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.952 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -39.93 81.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 78' ' ' PHE . 53.7 mt -65.85 -46.66 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.023 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -32.98 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.978 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -58.63 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.822 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.8 t -63.78 -53.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.019 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.964 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.3 t70 63.84 44.93 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 43.41 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -164.31 151.9 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.52 -37.11 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.03 89.79 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.35 153.31 50.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.53 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.04 109.25 2.51 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.583 2.189 . . . . 60.3 112.342 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.5 ptp -158.5 169.08 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.947 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.3 t -145.23 149.96 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.165 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.08 108.95 19.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.778 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 t -100.12 143.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.249 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.77 85.42 0.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.828 -0.701 . . . . 52.52 112.374 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -61.61 168.62 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 65.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.98 61.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.34 111.005 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.2 t -101.85 3.62 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.15 111.365 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -110.59 -18.6 13.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.663 0.268 . . . . 73.52 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.71 175.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 74.41 111.096 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.47 23.65 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 62.54 111.402 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.84 60.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 74.33 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -84.26 144.11 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.989 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -111.35 -47.19 3.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.54 110.78 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 90' ' ' PHE . 44.0 t -94.54 106.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.31 163.41 15.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 64.5 110.921 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 m -59.35 -30.3 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.056 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -56.46 -48.7 76.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 75.11 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.417 ' HB2' HG11 ' A' ' 125' ' ' VAL . 3.8 mt-30 -59.41 -42.95 92.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.24 111.069 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.51 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.255 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -36.92 82.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 70.43 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.0 tp -74.37 -51.47 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.98 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.18 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.31 111.23 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.985 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -72.84 -39.15 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.627 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -70.65 -23.32 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 74.54 110.943 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.75 16.54 63.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 62.54 112.566 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.8 pt -110.79 156.8 40.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 73.23 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.54 156.35 58.07 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.609 2.206 . . . . 75.3 112.274 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -127.78 118.29 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.04 110.936 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.9 150.94 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 75.1 111.022 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -118.04 128.86 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.625 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.1 p -138.31 174.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 73.01 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 124.75 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 74.52 110.776 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.67 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.491 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -97.36 -54.7 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 73.4 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -85.92 -21.58 27.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 75.51 111.284 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.79 66.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.401 . . . . 72.33 110.659 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.65 103.38 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.074 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.13 16.49 79.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.797 -0.716 . . . . 75.25 112.974 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.15 -54.17 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 120.827 0.346 . . . . 63.33 111.129 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.4 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 3.7 mt-10 -62.65 -30.15 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.07 -54.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.957 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.12 -39.8 44.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 73.03 111.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -72.75 -46.73 51.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.71 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 m-85 -57.7 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 71.13 111.045 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 85.9 m -59.68 -44.02 93.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.44 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 65.01 111.125 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.59 -39.7 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 61.1 111.101 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -72.17 -29.1 63.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.804 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.53 -50.81 23.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.967 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.54 -37.22 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.284 -0.416 . . . . 72.24 111.168 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.794 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -78.15 -29.26 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.849 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.252 -0.88 . . . . 73.33 110.862 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.955 0.407 . . . . 74.22 111.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.94 143.02 57.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 74.43 110.784 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.49 123.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 73.25 110.677 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -110.33 139.21 45.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 72.2 111.075 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 99.26 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 72.23 110.688 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.12 97.87 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.777 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.18 137.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 74.12 111.038 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.22 146.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 73.34 111.417 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.66 164.93 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 71.41 110.708 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.73 162.28 30.3 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.496 -0.859 . . . . 62.42 112.733 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.21 22.23 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 74.25 111.197 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.34 66.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 73.42 112.754 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.7 40.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.556 -0.831 . . . . 75.1 112.81 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.72 -7.06 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.825 0.306 . . . . 74.32 111.825 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.18 40.48 82.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 74.02 112.549 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -31.07 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.45 110.889 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -69.17 -31.32 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.711 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.44 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.146 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.47 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.118 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.409 ' CG2' ' CG2' ' A' ' 55' ' ' ILE . 86.2 m -66.92 -54.06 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 61.41 111.071 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.37 -27.45 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.237 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.2 -42.79 91.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 72.22 110.77 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 tp -73.65 -21.41 60.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 75.41 111.186 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 mm -84.53 -70.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 111.931 0.345 . . . . 70.23 111.931 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.579 -0.282 . . . . 75.3 111.597 -179.101 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.806 0.336 . . . . 71.15 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -147.6 159.49 43.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.892 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -158.16 147.1 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.86 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.21 123.67 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 m -134.89 -178.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 74.01 111.126 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.9 t -121.11 100.8 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.078 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.6 mt -116.39 136.85 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.026 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.85 33.09 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 70.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.6 28.46 67.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 54.12 112.45 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -141.89 113.97 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 71.34 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.9 m -62.35 120.42 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.837 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.2 m -143.93 147.34 33.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.791 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.88 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.923 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 60.7 mt -125.41 93.83 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.04 110.834 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 98.84 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.784 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 20' ' ' THR . 16.6 mm -77.04 110.77 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.04 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 71' ' ' TYR . 3.1 tm? -89.45 111.95 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.093 -0.503 . . . . 75.14 111.021 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.78 106.31 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.858 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -76.14 -173.76 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 62.4 111.052 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 3.1 mmt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.862 0.363 . . . . 70.12 110.385 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.687 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.04 -29.39 70.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 74.13 110.481 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 67' ' ' MET . 6.8 tp60 -74.61 -49.48 21.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 72.13 110.709 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD1' ' CD1' ' A' ' 56' ' ' LEU . 97.6 m-85 -50.94 -35.09 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.905 0.383 . . . . 74.21 110.791 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.85 -43.38 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 74.45 110.466 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -75.5 -16.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.965 -0.561 . . . . 75.22 111.038 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.3 p -101.31 -8.74 21.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.882 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.86 166.0 14.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.767 . . . . 61.14 112.661 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.8 -12.46 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.654 0.264 . . . . 75.31 111.146 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.6 -178.68 26.59 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.774 -0.727 . . . . 72.34 112.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -153.1 142.83 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 75.0 111.231 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.01 129.73 55.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.733 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 76.6 m -103.57 112.62 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 51.14 110.897 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.18 106.3 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.54 111.032 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.7 151.63 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.484 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.77 42.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.325 -0.398 . . . . 71.13 111.162 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pt -67.81 -13.48 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.215 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -28.6 14.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.414 -0.357 . . . . 75.34 110.54 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.81 107.29 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.22 110.83 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -64.43 -25.62 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.34 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -65.49 -45.26 84.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 73.41 111.094 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -57.03 -44.73 83.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 74.43 111.02 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.418 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 19.7 t80 -59.48 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.878 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.85 -30.96 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -72.23 -31.34 65.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 65.42 110.83 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.51 -28.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 72.53 110.687 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -72.27 -55.36 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.806 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.31 -29.02 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.069 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -64.23 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.394 . . . . 74.5 110.96 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -33.63 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 75.51 110.717 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.21 -29.77 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.015 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -43.56 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.787 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.13 -51.7 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.954 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.72 -37.4 63.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 73.25 111.287 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -64.1 -56.24 16.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 75.05 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.92 -52.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 74.51 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -65.22 -26.1 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.74 44.13 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 61.5 110.81 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -169.2 141.32 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 75.21 110.809 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.27 -28.02 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.031 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.28 84.58 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 74.13 111.217 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -112.09 151.65 43.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.921 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.26 101.1 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.45 2.1 . . . . 74.1 112.294 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 ptp -150.58 169.01 22.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 74.51 111.076 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.0 t -142.13 149.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.062 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.14 115.33 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.866 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.4 t -104.4 160.55 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 73.4 111.195 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.52 80.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.803 -0.713 . . . . 73.02 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.17 171.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 72.22 111.002 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 62.48 62.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 72.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.87 -22.52 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.264 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.66 -70.99 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.859 0.361 . . . . 71.14 111.168 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -48.19 172.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 75.34 111.354 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.34 47.21 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.23 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.47 71.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.2 111.059 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -99.98 145.94 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.943 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.6 p -108.08 -48.79 3.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.04 110.639 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.56 104.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 74.12 110.913 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.85 161.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.067 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.39 -37.18 86.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.908 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -56.85 -49.01 76.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.898 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.02 -44.1 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.01 110.923 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -66.07 -36.3 82.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -30.94 59.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.44 110.774 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -59.55 -34.92 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 73.13 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.3 tp -81.17 -51.38 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.886 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.27 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.54 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.16 -31.78 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.826 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -73.0 -37.97 66.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.612 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -70.86 -24.78 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.971 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.86 62.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 44.01 112.48 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.0 pt -111.7 157.23 40.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 73.45 111.335 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.78 155.64 65.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.578 2.185 . . . . 75.43 112.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -127.09 124.43 39.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.975 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.15 164.36 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.986 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -132.2 138.9 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.716 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.6 p -146.12 -178.51 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 71.34 111.201 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -146.36 122.15 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 64.03 110.791 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.37 -8.37 56.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 75.34 111.595 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -92.16 -48.06 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.83 0.348 . . . . 74.43 110.982 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 p -95.28 -17.42 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 54.35 111.19 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 64.23 60.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 73.41 110.779 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -110.86 123.09 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.545 . . . . 74.32 110.851 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.72 18.25 45.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 74.32 112.834 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.07 -53.58 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 CA-C-O 120.857 0.361 . . . . 75.41 111.14 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 26.7 mt-10 -63.01 -27.35 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.847 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -55.97 -48.02 76.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 65.42 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 61.45 111.148 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -72.85 -50.16 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.074 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.1 m-85 -56.11 -39.84 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.929 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 45.3 m -61.08 -35.28 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.581 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.81 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 73.44 110.602 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.41 -52.6 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.004 -0.544 . . . . 73.3 111.039 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -28.36 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -73.12 -55.46 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 65.25 111.011 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.25 -38.16 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.365 -0.38 . . . . 74.24 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -52.59 -45.16 66.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 72.51 111.025 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -59.75 -44.76 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.222 -0.894 . . . . 63.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.801 0.334 . . . . 64.42 111.17 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.09 149.77 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 65.22 110.692 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.66 117.89 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.863 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.41 105.46 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.033 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.91 99.18 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.65 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.98 101.6 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 62.05 111.146 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.6 t -88.11 109.06 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.73 139.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 71.12 111.051 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -137.26 148.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.041 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.76 174.16 37.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 70.04 112.709 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.04 156.96 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.862 0.363 . . . . 73.05 111.164 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.0 106.1 1.02 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 41.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.58 -20.21 7.39 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.768 -0.73 . . . . 70.02 112.625 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.14 -25.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 71.42 111.334 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.69 25.98 28.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 74.42 112.465 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -62.04 -34.98 77.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 71.02 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -72.59 -32.7 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.41 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.31 111.125 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.8 mt -57.17 -29.97 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.057 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.048 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.9 mm -53.53 -30.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 74.11 111.282 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -60.79 -49.35 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.62 -9.0 58.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 72.34 111.462 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.34 -72.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.726 0.298 . . . . 63.25 111.255 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 65.01 111.514 -179.765 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.788 0.327 . . . . 71.42 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -141.1 154.73 46.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.72 148.42 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.956 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -103.55 118.72 37.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.783 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.58 -178.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 64.23 111.162 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.96 102.54 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 46' ' ' ILE . 34.2 mt -111.93 135.71 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.926 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.32 17.66 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.259 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.73 -18.99 51.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.632 -0.794 . . . . 74.41 112.988 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.32 150.81 24.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 75.14 111.016 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -78.1 129.57 35.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.747 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.1 m -144.08 149.6 36.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.1 154.33 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.633 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -134.31 86.13 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 73.1 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.6 96.76 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.86 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.0 mm -86.56 109.18 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.177 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.18 133.5 34.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 61.13 110.596 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 104.86 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.25 110.751 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 p -74.91 -173.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 72.14 111.306 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 66.5 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 72.53 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -52.1 -50.23 62.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.115 -0.493 . . . . 63.23 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -30.95 12.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.93 0.395 . . . . 74.32 110.953 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.43 -47.48 63.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.019 -0.537 . . . . 73.3 110.577 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.19 -21.88 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.972 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.63 -42.03 61.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.329 -0.396 . . . . 75.44 110.622 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -76.4 -17.04 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 75.42 111.12 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.1 p -101.01 -15.44 17.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.301 . . . . 72.22 111.029 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -94.41 162.73 24.76 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.695 -0.764 . . . . 71.45 112.808 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 1.1 mt-10 -102.97 -16.26 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.512 0.196 . . . . 72.11 111.219 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.73 -169.94 17.88 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.715 -0.755 . . . . 71.34 112.458 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -153.89 137.86 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 71.12 111.137 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.14 123.0 40.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.684 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.02 119.86 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.989 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.1 t -112.36 116.93 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.981 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -134.78 146.06 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 74.32 110.907 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.89 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.984 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 pt -58.03 -27.46 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.231 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -75.08 -25.41 58.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 74.43 111.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -106.59 113.68 27.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 71.21 110.985 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.5 m -72.45 -26.6 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.23 111.098 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.334 -0.394 . . . . 72.21 110.693 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 m -60.29 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.767 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.48 -29.02 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 70.42 110.849 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.58 -41.44 72.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.999 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 8.0 m-20 -60.47 -34.52 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 65.22 110.949 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.89 -25.9 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.111 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -77.54 -55.45 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 72.2 110.831 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -64.42 -30.6 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.3 111.086 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 4.5 m-85 -59.88 -39.51 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 75.1 110.78 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -37.64 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 74.34 110.772 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.93 -38.65 83.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 71.11 111.065 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.29 -44.55 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.023 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.07 -48.37 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.105 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -35.61 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 75.02 111.115 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -58.86 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 75.14 110.662 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.45 -64.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.178 0.513 . . . . 75.45 110.968 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -58.74 -26.54 64.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 75.32 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.47 53.57 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 74.42 110.739 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.85 141.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.543 . . . . 65.31 110.884 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.47 -31.38 62.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.751 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -84.9 95.43 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 52.14 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 50.6 t -133.16 136.55 27.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.726 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 59.7 Cg_endo -72.93 100.97 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.871 2.381 . . . . 70.52 112.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.26 162.03 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.14 110.921 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -142.96 146.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 75.22 111.208 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 tp -107.49 113.54 26.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 75.23 110.741 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 16.3 t -100.67 146.57 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.249 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.69 91.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 62.51 112.428 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.78 155.79 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 74.14 111.053 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.2 mttt 59.8 75.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 75.25 111.048 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.0 t -99.25 -20.78 16.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 62.45 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.94 -23.72 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.446 -0.343 . . . . 73.22 111.271 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.67 139.94 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 75.13 111.175 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.72 26.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.245 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.64 69.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 73.54 110.866 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.2 114.51 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 74.45 110.837 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.4 p -88.46 -49.8 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.651 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.8 t -87.59 96.43 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 75.14 110.842 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -54.33 157.25 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.43 111.048 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.9 m -57.68 -29.39 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.53 111.044 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -58.32 -47.9 82.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 64.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -41.1 88.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.29 72.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.02 111.115 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -40.82 27.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 63.15 110.847 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.23 -33.41 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.15 110.829 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.34 -51.42 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.21 110.848 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.54 84.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.52 111.081 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -58.0 -30.26 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.888 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -73.3 -36.7 66.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.734 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -74.11 -21.72 59.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.048 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.97 61.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 65.11 112.397 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.4 pt -110.0 156.94 39.14 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.293 . . . . 75.43 111.373 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.84 159.69 51.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 72.33 112.418 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -134.19 118.13 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.809 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.71 150.62 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.896 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.06 131.17 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 75.02 110.86 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.4 p -138.77 159.54 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.51 111.153 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 p -131.09 120.96 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 60.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.66 60.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 64.55 111.483 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -92.55 -50.65 5.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 73.35 111.294 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 p -88.25 -21.17 24.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.363 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.73 69.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.987 0.422 . . . . 73.53 110.55 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -125.33 116.09 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 75.44 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.59 14.24 62.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 72.31 112.836 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 36.2 t -52.37 -55.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 75.04 111.202 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 60.5 mt-10 -66.93 -26.8 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 71.41 110.914 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.05 -51.63 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 75.2 110.97 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.56 82.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.095 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -49.83 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.1 -31.01 60.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.827 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.9 m -57.17 -40.45 77.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.854 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -48.05 79.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.696 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.4 t -52.71 -38.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.114 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -33.18 67.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 74.14 110.858 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -68.21 -44.4 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.81 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.31 -45.65 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.017 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -60.26 -34.75 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 72.41 110.8 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -97.46 25.89 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.35 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.235 -0.888 . . . . 70.42 110.978 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.886 0.374 . . . . 70.12 111.299 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -97.33 140.44 31.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.56 . . . . 62.2 110.841 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.18 141.53 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 65.33 110.637 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' HG23 ' A' ' 2' ' ' THR . 20.5 m-85 -135.34 148.1 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 71.54 111.12 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -115.4 117.0 29.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 70.34 110.801 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 2.0 mm? -112.87 95.13 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 72.21 110.874 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 92.3 t -84.55 102.22 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.98 138.55 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 74.31 111.044 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.36 150.21 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 75.41 111.011 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.94 176.31 30.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.469 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 161.82 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 51.05 111.092 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.19 -19.54 61.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.785 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.61 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 73.1 112.752 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -115.48 -34.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 74.42 111.389 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.49 23.82 8.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 70.0 112.483 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -43.53 98.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 74.42 110.949 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 p -66.82 -32.82 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 62.31 110.823 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.75 71.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.875 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.53 -28.6 69.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -58.75 -55.76 30.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -30.14 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.269 -0.423 . . . . 64.41 110.772 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -62.76 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 72.14 110.753 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -7.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.31 111.317 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.4 mm -105.84 -70.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 72.43 111.204 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.406 -179.703 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.758 0.314 . . . . 74.41 110.765 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -146.2 143.63 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -151.91 147.59 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.986 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.8 117.79 33.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.519 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 m -138.94 -178.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.372 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.41 103.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.989 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -88.4 111.55 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 74.32 111.115 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 59.28 40.86 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.5 22.5 77.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 74.33 112.633 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -130.35 107.12 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 75.51 110.806 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -60.0 122.78 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 73.05 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.7 m -145.95 145.15 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 53.23 110.704 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 143.43 36.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.812 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.0 mt -122.41 108.87 13.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.665 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 93.37 6.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.027 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.9 mm -78.08 113.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.734 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 2.5 tp -88.41 119.03 28.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.866 -0.607 . . . . 71.2 111.006 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -110.13 108.2 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 75.35 110.773 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -98.38 -173.76 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.15 110.809 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 64.21 111.098 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.494 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 4.9 mtp . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.606 0.241 . . . . 63.32 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -49.27 -31.08 8.23 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.051 0.453 . . . . 75.14 110.322 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -33.63 67.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.811 -0.631 . . . . 73.2 110.184 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.494 ' HB3' ' O ' ' A' ' 67' ' ' MET . 4.0 tp60 -57.45 -48.48 79.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.778 -0.646 . . . . 75.43 110.243 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.517 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 23.5 m-85 -51.67 -33.75 35.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 75.24 111.486 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.3 mtt -73.63 -39.19 64.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.055 0.455 . . . . 74.02 110.151 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -81.12 -15.39 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 74.24 111.402 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 70' ' ' GLN . 80.5 p -100.24 -15.36 18.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 75.52 111.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.405 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -100.0 159.23 19.54 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.586 -0.816 . . . . 61.03 113.441 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -105.97 -13.42 15.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 74.14 110.828 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.96 170.02 31.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.887 -0.673 . . . . 70.41 112.089 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' CD2' HG21 ' A' ' 100' ' ' ILE . 69.5 m-85 -138.39 140.6 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 73.3 111.283 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.4 121.16 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 65.51 110.756 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 m -97.99 115.98 29.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.44 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.31 122.05 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.056 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -136.04 141.92 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.823 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.25 123.78 32.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 73.35 111.044 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.5 pt -56.34 -31.58 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.13 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.9 -24.47 65.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 75.2 111.012 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -113.22 103.49 11.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.389 . . . . 72.1 110.886 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -64.5 -23.59 67.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.027 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -44.37 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 72.15 110.743 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 m -56.96 -36.75 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 51.02 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.93 -29.06 69.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.877 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.0 -31.55 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.3 m-20 -72.23 -31.48 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.1 mm -61.34 -28.35 43.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.23 110.969 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -73.18 -55.44 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.14 -28.69 68.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.079 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -58.35 -42.23 86.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 74.23 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -65.22 -34.05 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 75.41 110.741 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.2 -45.26 91.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.68 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -40.2 95.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 71.43 110.583 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 78' ' ' PHE . 83.5 mt -62.08 -53.18 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 71.54 111.06 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.79 -35.6 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.228 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -61.4 -59.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 74.13 111.024 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.69 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' CB ' HG12 ' A' ' 109' ' ' VAL . 5.0 mmmt -59.18 -28.06 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 73.31 111.019 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t0 62.44 50.97 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.706 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.43 140.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 74.31 110.811 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -75.19 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.11 111.0 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -90.55 89.38 7.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.126 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.421 HG12 ' CB ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -121.65 152.79 59.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 62.42 110.947 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.93 108.48 2.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.646 2.23 . . . . 64.32 112.524 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.92 165.96 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.724 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.2 151.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.348 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tp -111.86 114.01 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 71.14 110.926 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.8 t -102.17 144.46 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.03 111.136 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 84.84 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 74.31 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.38 169.44 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 75.31 110.922 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.0 mttt 61.08 51.71 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.972 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 t -87.19 -13.51 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.23 111.286 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -91.05 -18.05 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.507 -0.315 . . . . 73.22 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.46 158.78 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 72.52 111.24 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.24 41.3 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.149 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.71 56.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 55.32 111.037 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.422 ' HB3' ' CD1' ' A' ' 84' ' ' ILE . 2.2 ptm180 -68.78 126.25 29.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.041 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.6 p -94.04 -26.18 16.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.583 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.06 98.67 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.907 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.68 161.09 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 74.51 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.2 p -56.57 -29.93 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 64.31 110.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -59.82 -46.33 89.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.797 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.37 -36.85 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.84 56.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 62.44 111.162 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -33.27 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.943 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.4 -36.18 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.415 HD13 ' CZ ' ' A' ' 137' ' ' TYR . 27.9 tp -78.25 -51.53 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.0 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.13 111.113 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -64.73 -23.52 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.54 111.086 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.4 t -77.97 -41.39 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 61.01 110.715 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.483 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -74.75 -19.93 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 74.34 111.012 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.96 17.63 62.8 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.714 -0.755 . . . . 71.41 112.416 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.483 HG12 ' HB2' ' A' ' 137' ' ' TYR . 7.5 pt -107.71 156.83 37.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 71.11 111.485 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.02 154.28 52.65 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 75.3 112.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -126.36 118.4 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mp -117.88 157.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.028 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.56 131.39 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.2 p -141.65 179.4 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 73.41 110.989 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -147.14 117.94 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.838 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.55 -22.65 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -83.41 -61.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 75.21 111.142 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -19.66 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.4 111.364 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.85 63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 74.21 110.657 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -114.23 120.38 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 55.85 28.06 51.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.803 -0.713 . . . . 73.04 112.677 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.3 t -57.46 -55.87 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.33 111.06 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.5 mt-10 -66.82 -28.29 68.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.829 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -34.01 63.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.65 -40.08 56.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.913 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -68.76 -50.47 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.82 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.6 m-85 -54.68 -33.45 60.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 71.11 111.064 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.8 m -58.44 -34.62 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.905 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 23.8 tp -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.789 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.73 -48.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 75.01 110.952 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -66.4 -28.99 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.801 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.56 -54.85 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.783 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.15 -52.03 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.303 -0.408 . . . . 71.3 111.048 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -48.1 -33.85 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.989 -0.55 . . . . 73.15 110.981 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -31.98 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.839 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.215 -0.898 . . . . 72.44 110.873 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.116 0.484 . . . . 75.41 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.06 148.48 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.643 -0.708 . . . . 74.35 110.542 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.49 118.33 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.926 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -108.03 123.92 49.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 70.54 110.929 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -101.25 119.47 38.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.781 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.8 mt -113.7 119.0 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.095 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 40.7 t -87.37 102.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.04 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.37 124.78 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.237 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.51 149.52 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 71.32 111.048 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 63.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 72.02 112.631 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.75 -169.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 74.53 111.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.96 43.14 1.61 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.5 36.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 50.15 112.441 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -110.82 -26.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 72.31 111.354 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.37 18.56 6.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 61.22 112.685 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -36.61 80.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 74.55 110.722 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -43.17 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.709 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.75 80.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -66.03 -31.75 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.784 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 m -67.57 -52.12 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.33 -29.0 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.792 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -67.33 -42.6 83.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 64.13 110.604 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.62 -7.62 55.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 75.22 111.228 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.3 mm -111.94 -69.25 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 74.15 111.298 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.2 111.385 -179.542 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 74.42 110.746 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -97.52 135.96 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.53 110.965 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -148.91 151.03 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.35 110.786 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -109.33 120.64 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.727 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.85 176.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 73.12 111.267 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.99 102.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.004 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.4 mt -127.28 138.2 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.026 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.54 29.33 15.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.935 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.94 27.0 67.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.4 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -145.47 105.99 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 71.14 110.851 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -55.64 129.64 39.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.8 m -146.74 156.27 43.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 61.33 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mt -84.71 145.15 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.716 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 mt -115.22 93.34 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.061 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -86.19 99.44 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.808 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.7 mm -91.25 110.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 63.4 111.078 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 7' ' ' VAL . 8.6 tp -79.8 120.84 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.997 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -118.58 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.704 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 10.5 p -80.48 -175.95 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.046 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 72.11 111.056 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.604 0.24 . . . . 62.24 111.09 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.27 -48.29 79.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.992 0.425 . . . . 72.03 109.944 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -30.4 64.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 73.23 110.113 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -41.27 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 70.43 110.424 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 20.4 m-30 -58.47 -42.3 87.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.573 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.447 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -70.7 -37.03 73.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 75.43 110.021 179.215 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -77.38 -14.51 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 65.24 110.969 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.8 p -98.83 -21.92 16.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.318 -0.401 . . . . 74.23 110.442 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -98.49 159.15 20.44 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.757 -0.735 . . . . 61.42 113.065 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.16 -16.28 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 44.15 110.877 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.39 167.05 30.21 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.021 -0.609 . . . . 74.52 112.15 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.474 ' CZ ' ' HE2' ' A' ' 104' ' ' LYS . 3.1 m-85 -136.58 148.13 47.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 75.2 111.147 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.53 115.93 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.41 110.873 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 35.0 m -90.69 104.02 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.953 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.52 134.86 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 70.22 110.982 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 90' ' ' PHE . 4.5 p90 -147.64 153.8 39.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 63.22 110.791 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.67 125.21 35.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 64.4 111.132 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.9 -27.6 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.236 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -71.17 -23.62 62.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.965 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -113.22 119.62 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 75.43 110.86 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.9 m -69.02 -33.59 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.91 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -56.54 -44.4 80.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 74.33 110.913 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.1 p -59.49 -37.63 78.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 23.6 t80 -68.17 -36.85 80.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -27.12 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.109 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -69.41 -37.29 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 65.41 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.9 mm -59.85 -27.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 74.32 111.035 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.24 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 70.42 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.12 -28.05 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.984 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -33.93 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.922 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.77 -34.19 76.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.51 110.83 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -44.55 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.814 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -68.5 -43.79 83.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.975 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -35.42 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 74.41 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -69.87 -58.93 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.2 111.182 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.24 -52.21 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 71.23 111.104 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HE2' ' CZ ' ' A' ' 78' ' ' PHE . 13.4 mmtm -66.38 -26.61 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.95 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t0 68.54 38.76 2.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 74.43 110.78 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -176.02 164.02 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.842 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -104.54 18.22 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 74.51 111.261 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -126.62 82.0 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 54.12 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.24 154.34 81.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.252 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.33 106.59 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.601 2.201 . . . . 74.24 112.284 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.5 ptp -149.93 171.59 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 75.45 110.94 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 t -144.07 160.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.03 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 tp -125.48 106.48 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.805 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.9 t -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 61.12 111.357 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.64 87.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 65.13 112.275 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.98 169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.38 . . . . 74.53 111.06 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp 61.03 59.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.962 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.8 t -102.24 4.86 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 62.5 111.352 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.93 -28.41 8.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.729 0.299 . . . . 74.11 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.52 153.68 4.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 74.33 111.094 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.84 31.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.138 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.86 79.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.2 111.068 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.74 112.26 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.714 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.7 p -86.17 -49.85 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.674 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.47 101.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.828 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 161.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.14 111.078 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 m -62.02 -40.84 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 64.32 111.045 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -55.93 -46.35 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.995 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -61.02 -41.63 96.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.14 111.009 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -71.04 -33.48 70.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 52.43 111.154 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -33.13 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.12 110.884 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.78 -45.98 85.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.449 ' CD2' ' CE1' ' A' ' 137' ' ' TYR . 1.4 tm? -69.82 -51.86 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.1 111.013 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.87 73.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.907 -0.588 . . . . 64.13 111.207 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -59.95 -29.16 68.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.02 111.039 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.0 t -77.95 -21.56 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 74.21 110.944 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 133' ' ' LEU . 6.1 m-30 -88.65 -22.3 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.212 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.55 16.66 65.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 64.5 112.555 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 pt -112.09 157.17 40.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.74 0.305 . . . . 74.54 111.361 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.75 149.11 53.84 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 72.3 112.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -119.43 116.96 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 75.14 110.489 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.66 152.62 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.099 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.71 129.68 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.53 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.2 p -138.97 169.5 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.081 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.08 121.3 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.833 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.37 -6.43 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.11 111.668 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.51 -47.23 6.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 73.55 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -95.3 -14.87 23.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.418 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.38 61.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 74.12 110.65 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.35 118.62 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 63.32 110.997 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.22 13.96 58.69 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.805 -0.712 . . . . 73.13 112.958 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.25 -60.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 63.03 111.344 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -62.03 -34.39 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 65.41 110.833 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.38 -34.74 49.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.948 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.6 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 75.03 111.012 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -63.56 -51.02 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 64.4 111.008 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.64 -30.14 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.199 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -58.79 -32.77 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 75.24 111.048 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.11 -40.94 64.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.976 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.22 -44.9 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.43 111.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -39.74 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 71.44 110.977 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.73 -54.84 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.42 110.973 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 46.5 mt -56.35 -42.87 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.322 -0.399 . . . . 75.01 111.159 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -56.73 -47.08 80.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.981 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.61 -44.34 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.841 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.226 -0.892 . . . . 71.45 110.842 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.799 0.333 . . . . 74.43 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.45 149.8 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.693 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.12 109.32 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 71.52 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -97.06 113.45 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.95 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.05 99.92 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.819 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.48 95.15 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.71 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 t -84.23 102.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.52 111.09 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.09 112.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 63.43 111.298 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.66 -175.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 71.22 111.056 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 126.9 163.01 11.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 70.14 112.487 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 166.16 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.31 111.105 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.51 -10.94 55.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.848 -0.691 . . . . 71.0 112.916 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.99 57.08 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.554 -0.831 . . . . 72.31 112.642 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -120.3 -5.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.786 0.291 . . . . 75.21 111.786 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.23 21.85 69.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 74.24 112.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.15 75.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 75.32 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -25.88 62.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.205 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 73.23 111.357 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -28.98 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.263 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -54.42 -46.84 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 72.12 111.187 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -32.78 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.44 110.747 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -59.19 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.53 110.638 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -60.25 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 72.15 110.614 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.6 -60.46 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 70.32 110.999 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 . . . . . 0 CA--C 1.539 0.521 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.27 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 71.12 110.737 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -147.54 129.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.915 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -124.89 147.27 48.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -95.35 120.72 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.813 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.76 176.86 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.19 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.78 102.28 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.994 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mt -116.24 139.63 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.045 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.62 16.66 10.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 75.34 111.241 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.37 51.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 72.32 112.956 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -107.21 147.99 29.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 64.43 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.2 m -72.98 129.21 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 74.42 110.752 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.9 m -144.69 146.91 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.931 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.5 155.62 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 75.51 110.807 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 mt -126.56 81.55 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.029 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.26 99.89 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.681 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 mm -87.34 109.19 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.447 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -92.58 100.78 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 73.43 110.657 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.51 104.41 16.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.98 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.4 p -75.41 -174.15 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.617 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.336 -0.393 . . . . 74.44 111.229 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.478 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 6.1 ptp . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.736 0.303 . . . . 71.23 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -51.05 -51.12 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.63 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 74.34 110.272 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 74' ' ' THR . 1.9 tp60 -67.83 -48.92 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 75.22 110.487 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 22.0 m-85 -51.53 -37.13 47.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 70.42 111.319 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.44 -46.48 72.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.41 -0.589 . . . . 73.51 109.41 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 103' ' ' VAL . 53.7 mtp180 -72.12 -10.14 59.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.511 -0.768 . . . . 72.11 111.195 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 45.3 p -99.02 -23.28 15.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 73.31 110.832 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -104.77 166.35 14.84 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.573 -0.822 . . . . 54.41 113.664 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.11 -13.12 13.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.352 . . . . 74.3 110.876 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.11 22.84 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.796 -0.716 . . . . 63.22 112.284 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.86 155.7 37.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 73.33 111.17 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 116.89 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.21 110.8 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 63.8 m -90.66 110.92 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 71.24 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.5 t -107.58 111.46 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.039 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.12 144.81 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.637 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.65 33.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.968 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 pt -61.25 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.22 111.002 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.83 -28.51 30.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.881 -0.6 . . . . 72.22 110.732 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.02 106.48 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.795 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -67.38 -27.4 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.075 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -62.1 -45.43 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 75.12 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -53.84 -43.96 69.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 74.01 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 20.8 t80 -59.84 -27.82 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.712 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.96 -29.83 55.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.32 111.073 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.23 -33.06 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 75.11 111.084 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.4 mm -60.94 -31.66 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.832 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -69.63 -55.35 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 71.31 110.722 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.67 -28.35 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 65.14 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.416 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.2 m-85 -58.54 -48.78 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.99 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -55.44 -30.71 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.126 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.71 -41.05 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 54.31 110.839 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -24.31 62.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.039 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mm -74.99 -44.31 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 65.21 111.135 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -59.85 -32.79 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.44 111.179 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -59.11 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.354 . . . . 72.24 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 73' ' ' ARG . 46.7 t -62.05 -52.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 74.22 110.823 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -26.67 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 74.13 110.805 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.3 t0 62.42 50.15 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 72.14 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 176.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.71 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -79.3 81.14 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.23 111.007 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.51 144.05 32.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 72.54 110.979 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -68.76 100.93 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 70.22 112.503 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.2 ttm -134.42 173.31 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 74.2 110.935 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.3 t -146.92 153.81 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 74.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.8 tp -128.84 112.2 13.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.817 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.18 154.75 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 75.3 111.336 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.43 78.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 75.51 112.319 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -55.76 156.75 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 72.05 110.982 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.8 mttp 63.04 57.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 73.31 110.943 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 t -91.8 -22.32 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 75.42 111.068 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -77.91 -25.23 48.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.359 . . . . 74.41 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -51.21 166.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 75.01 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -121.44 27.19 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 72.3 111.338 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.56 73.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 71.43 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -90.41 139.66 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 72.33 110.893 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -110.28 -24.67 10.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 65.22 110.686 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.84 104.28 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.104 -0.498 . . . . 74.31 111.088 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.04 161.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 71.4 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.3 p -63.05 -35.65 80.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 73.33 111.053 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.48 -48.59 80.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.65 -40.91 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 64.44 111.06 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.34 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.1 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -29.22 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.13 -36.0 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 74.22 110.955 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -81.15 -50.91 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.86 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.29 88.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.197 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -56.72 -41.57 77.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.3 t -75.35 -33.77 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.753 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -69.3 -24.79 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 71.13 111.037 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.19 12.66 59.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.65 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.2 pt -112.3 151.59 43.85 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 73.33 111.379 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.55 160.34 50.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.54 2.16 . . . . 61.25 112.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -124.9 118.93 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.752 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.9 160.33 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 74.21 111.031 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -120.08 133.12 55.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 72.22 110.883 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.1 p -145.54 171.37 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.4 111.109 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.18 117.18 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 74.31 110.702 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.45 -23.36 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.466 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -66.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 73.05 111.2 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.3 p -80.95 -13.91 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.574 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 62.59 57.3 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 74.34 110.613 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -108.35 130.06 55.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 74.52 110.911 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.14 21.38 46.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 64.31 112.814 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.8 t -57.58 -58.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 72.41 111.031 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -62.98 -31.3 72.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.769 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -54.03 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.34 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.08 83.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.003 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.71 -51.61 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.847 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.56 -25.68 60.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 72.22 111.12 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.0 m -57.12 -50.19 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 75.41 111.196 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 19.1 tp -59.01 -34.38 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 72.44 111.028 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.4 -50.2 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.35 . . . . 75.44 111.013 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.95 -28.74 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.881 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.8 -50.72 27.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.079 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.15 -36.41 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.274 -0.421 . . . . 74.25 111.189 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -65.47 -21.64 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 75.11 111.143 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.87 26.22 4.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.824 0.345 . . . . 73.33 111.156 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.223 -0.894 . . . . 64.34 110.925 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.039 0.447 . . . . 72.42 111.34 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.408 HG21 ' CE2' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -77.8 146.69 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.737 -0.665 . . . . 73.35 110.819 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -98.11 126.47 43.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.661 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' A' ' 2' ' ' THR . 33.7 m-85 -118.96 125.07 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.114 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.38 106.36 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.673 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.49 108.51 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.55 111.053 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.19 102.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.952 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -83.61 139.62 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 65.12 111.192 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 m -137.93 157.02 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 74.02 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.89 176.99 47.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 61.32 112.585 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.17 25.0 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 75.41 111.228 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -78.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.66 -0.781 . . . . 74.23 112.55 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.52 -23.71 36.34 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.83 -0.7 . . . . 64.53 112.735 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.1 m -53.74 -39.11 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 74.53 111.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.39 50.87 1.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 73.11 112.611 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -77.16 -30.56 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 73.54 110.884 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -32.44 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -53.02 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 65.31 111.219 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 38.5 mt -62.56 -38.11 88.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 74.0 110.836 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -62.93 -58.21 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.817 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.52 -29.32 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.793 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -71.23 -44.51 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 72.4 110.751 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.79 -4.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.539 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.406 HG21 ' CD2' ' A' ' 40' ' ' TYR . 26.2 mm -118.1 -69.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.803 0.335 . . . . 75.13 111.221 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.34 111.102 -179.765 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 24' ' ' ILE . 5.8 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 72.34 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -143.16 106.42 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.837 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -112.36 145.89 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.964 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -104.88 132.08 51.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.73 174.93 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.121 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.66 100.8 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.5 mt -114.66 138.44 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.021 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t0 63.6 17.69 10.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 71.21 111.23 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.15 40.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 74.31 112.858 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -102.21 155.17 18.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.2 111.1 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.0 m -92.12 131.44 37.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 74.55 110.702 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.8 m -146.8 146.64 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 72.05 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.96 146.96 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.643 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 mt -118.33 109.02 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 72.15 110.84 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.46 90.79 3.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.151 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.6 mp -79.87 116.09 23.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.718 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD23 ' CG ' ' A' ' 71' ' ' TYR . 16.6 tp -83.15 126.77 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.034 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -112.14 78.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 72.4 110.931 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -80.42 -173.76 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.937 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 55.42 111.344 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.407 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 121.012 0.434 . . . . 75.34 110.8 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -54.59 -44.72 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 74.23 111.326 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.06 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 72.35 111.133 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -75.5 -37.22 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.176 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CG ' HD23 ' A' ' 56' ' ' LEU . 25.6 m-85 -59.0 -37.44 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.374 -0.375 . . . . 74.33 111.154 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 78' ' ' PHE . 1.4 mtt -67.86 -35.81 79.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 74.14 110.305 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -81.48 -15.21 55.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.648 . . . . 75.02 111.236 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 p -104.72 -5.33 21.4 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.456 -0.338 . . . . 73.4 111.577 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.46 160.64 13.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.442 -0.885 . . . . 73.13 112.995 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -103.75 -15.59 15.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.669 0.271 . . . . 73.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.11 174.11 28.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 52.21 112.526 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 63.6 m-85 -143.83 136.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 75.31 111.077 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.05 116.62 27.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 72.24 110.754 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.49 123.41 41.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 74.1 110.891 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.21 131.19 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.987 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -128.11 128.82 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.765 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.9 123.72 34.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.96 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -64.74 -22.04 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.54 111.204 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.88 8.1 30.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 64.43 111.245 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -138.38 107.39 6.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.836 0.35 . . . . 63.13 110.919 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -30.71 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.21 110.831 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -67.07 -39.0 86.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.857 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.6 p -59.12 -40.37 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 70.14 110.667 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 11.8 t80 -63.43 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.741 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.92 -26.67 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.026 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -70.54 -33.78 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 73.42 110.981 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.7 -30.46 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 74.43 110.863 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.97 -55.43 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.854 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.54 -31.44 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.051 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.6 m-85 -61.05 -48.13 83.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 74.53 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.91 -35.34 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.98 -27.02 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 63.4 111.008 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.35 -34.9 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.498 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -46.54 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.22 111.011 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -59.24 -26.74 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -67.47 -58.9 3.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 73.43 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.37 -54.72 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.14 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.7 47.91 2.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.4 152.79 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.817 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -90.64 -36.13 14.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 70.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.16 82.11 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.933 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.04 151.95 45.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 74.1 111.026 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.16 104.23 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.568 2.179 . . . . 74.44 112.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.3 ptp -152.88 168.19 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.843 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.0 t -143.04 149.74 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.15 111.209 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 tp -107.76 107.05 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.23 139.15 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.264 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.99 97.49 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.764 -0.731 . . . . 74.54 112.477 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -76.56 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 75.55 110.95 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 62.4 69.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.901 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.3 t -108.45 -22.26 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.099 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.13 -24.97 32.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 74.43 111.181 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.59 161.99 0.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 74.3 111.057 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.63 29.87 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 73.33 111.304 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.36 57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 73.25 111.192 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -83.52 138.3 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 74.3 111.049 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.1 p -106.28 -48.73 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.769 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.2 t -100.21 104.46 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 64.42 110.963 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.6 155.4 12.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.945 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.9 m -57.0 -29.8 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -58.77 -39.94 82.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.844 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.29 -34.71 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -79.86 -35.69 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.31 111.085 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -41.78 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.958 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.57 -42.79 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.432 HD23 ' CE2' ' A' ' 137' ' ' TYR . 1.2 tm? -66.95 -51.96 48.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.45 111.19 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.08 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -61.91 -23.85 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 73.54 110.97 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 p -76.62 -35.79 57.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 73.01 110.803 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.432 ' CE2' HD23 ' A' ' 133' ' ' LEU . 22.8 m-85 -76.66 -21.6 55.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.55 111.113 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.09 14.67 62.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.768 . . . . 74.15 112.601 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.0 pt -108.33 151.01 41.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.721 0.296 . . . . 72.44 111.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.05 151.51 85.5 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.602 2.202 . . . . 74.14 112.433 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -123.26 106.5 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 71.01 110.508 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.7 mp -108.07 144.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.42 111.016 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.11 131.99 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.54 111.011 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 33.6 p -142.26 174.63 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 71.5 110.957 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.48 124.72 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.862 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.26 -2.39 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.55 111.582 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -95.02 -29.3 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.319 . . . . 74.44 110.986 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.0 p -122.42 1.35 9.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 71.22 111.571 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 49.35 67.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.901 0.382 . . . . 74.4 111.135 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.33 117.43 29.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 64.02 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 56.24 20.83 30.35 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.861 -0.685 . . . . 72.24 112.941 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.52 -55.54 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.833 0.349 . . . . 73.11 111.297 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.5 mp0 -66.43 -27.6 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.814 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -56.54 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.907 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.17 -35.54 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 74.42 111.158 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 19' ' ' LEU . 3.2 m-85 -70.71 -50.89 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.0 m-85 -53.94 -27.56 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 72.44 111.153 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 9.5 m -56.84 -43.16 80.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 61.02 111.13 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -32.27 63.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 72.14 110.799 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.95 -53.72 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 72.32 110.986 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -63.02 -31.38 72.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.782 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.48 -47.18 57.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.7 -34.96 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.137 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.3 mtm-85 -51.32 -29.9 16.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.058 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -108.17 -35.35 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.915 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.257 -0.877 . . . . 63.01 110.92 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.029 0.443 . . . . 75.41 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.27 144.92 23.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 65.53 110.635 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -109.14 115.42 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.935 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -101.18 99.08 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -86.63 98.27 11.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.883 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.3 130.49 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.247 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.418 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 71.4 t -103.57 102.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.834 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.5 138.65 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.13 111.001 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.92 151.13 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 73.42 110.949 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.19 156.26 22.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.664 -0.779 . . . . 54.33 112.625 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.45 50.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.261 . . . . 70.31 111.609 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.87 -69.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 65.33 112.086 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.5 -5.9 79.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 62.32 112.452 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -54.67 -29.99 21.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.752 0.31 . . . . 73.13 111.42 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.84 26.85 11.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.549 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -65.5 -23.05 66.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 74.2 111.106 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -80.38 -42.83 22.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 63.2 111.064 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.09 -46.48 68.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.273 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -34.65 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 m -70.33 -50.62 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.835 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.95 -42.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.31 111.01 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -57.59 -44.21 85.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 61.04 110.764 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.14 -59.11 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 73.51 110.608 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.51 -59.09 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 73.33 110.924 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 72.43 110.758 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 74.3 110.678 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -115.16 123.35 48.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -121.36 148.75 43.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -101.34 126.09 48.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.64 174.71 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 73.01 111.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.27 100.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.8 mt -119.62 131.6 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 62.12 111.082 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.22 34.31 8.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.52 31.81 67.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 62.31 112.524 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.49 109.15 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 73.53 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -59.69 124.01 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.859 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.0 m -147.44 152.19 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 143.61 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.807 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.52 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 53.13 110.767 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.82 97.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.999 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.1 mm -79.04 122.04 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 65.35 110.988 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD13 ' CG ' ' A' ' 71' ' ' TYR . 3.2 tm? -114.43 101.41 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.899 -0.591 . . . . 72.42 110.847 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.71 108.76 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.781 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 71' ' ' TYR . 12.0 p -75.22 171.49 14.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.844 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.182 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.3 mtp . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.761 0.315 . . . . 73.13 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.57 -25.61 11.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.296 -0.411 . . . . 75.43 110.984 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.29 -36.78 39.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 75.41 111.11 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -57.16 -41.93 80.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.374 . . . . 75.25 110.76 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.2 m-85 -52.86 -50.54 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 74.15 111.606 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mtt -55.96 -34.95 66.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.421 . . . . 74.04 110.394 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -81.44 -17.73 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 64.24 111.492 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 70' ' ' GLN . 81.8 p -98.32 -11.02 22.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.698 0.285 . . . . 75.31 110.98 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -100.73 155.06 19.32 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.52 -0.848 . . . . 70.14 113.692 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -96.33 -18.93 19.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.797 0.332 . . . . 74.45 110.566 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.3 -165.83 12.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.967 -0.635 . . . . 73.13 112.12 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -155.23 140.42 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 74.01 111.305 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.02 121.9 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 73.54 110.756 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.4 m -97.29 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.2 t -102.81 112.96 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -125.6 144.16 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.614 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.33 123.64 32.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.312 -0.403 . . . . 73.53 110.947 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.1 pt -59.92 -31.17 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.855 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.39 -29.15 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 75.14 110.812 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -106.5 109.27 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.793 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -67.44 -25.36 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.03 111.174 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -41.54 97.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.444 -0.344 . . . . 72.22 110.678 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.6 p -61.32 -28.9 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.875 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.12 -45.09 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.15 110.895 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.44 -29.89 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.21 111.082 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -67.09 -32.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 60.11 110.909 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.84 -28.94 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.62 -55.36 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.03 110.695 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -67.07 -28.46 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 73.53 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.3 m-85 -63.45 -49.66 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 70.1 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -57.1 -35.96 70.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.82 81.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -37.25 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.837 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mt -69.46 -44.05 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.54 111.024 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -30.46 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 75.34 110.84 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -58.94 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 73.35 111.014 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.69 -58.2 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 72.44 110.876 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -59.24 -24.92 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.684 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.5 t0 62.06 37.42 14.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 72.54 110.802 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -164.14 157.45 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 70.5 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -85.79 -42.56 14.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.654 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.86 92.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.644 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 48.3 t -128.5 136.39 29.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.782 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 63.2 Cg_endo -74.73 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.902 2.402 . . . . 75.22 112.471 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.83 168.15 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.22 110.886 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.1 t -143.19 151.08 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.45 111.071 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 tp -110.43 127.28 55.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.47 137.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.41 111.082 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.57 78.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.717 -0.754 . . . . 70.54 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -52.71 170.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.823 0.344 . . . . 74.31 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt 61.98 49.7 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.8 t -87.47 5.84 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 64.01 111.411 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -110.05 -17.91 13.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.708 0.289 . . . . 73.04 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.62 173.01 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.403 -0.362 . . . . 74.01 111.001 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.35 41.27 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 70.04 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -166.78 64.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.983 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.03 84.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.013 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.2 p -60.52 -28.14 68.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 61.52 110.724 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.37 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.64 165.45 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 72.21 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.0 m -57.5 -25.19 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 75.11 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -62.47 -56.51 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 74.24 110.934 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.26 -39.14 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.04 111.071 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 141' ' ' TYR . . . -66.92 -37.12 83.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.25 111.266 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -29.91 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.054 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.18 -45.5 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.395 . . . . 72.13 111.027 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.09 -48.79 27.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.168 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.13 73.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 64.14 111.063 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -73.69 -44.25 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 74.3 110.856 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -64.08 -37.21 86.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.805 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.473 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-85 -84.33 -21.55 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.072 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.38 18.15 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 60.31 112.591 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' A' ' 137' ' ' TYR . 8.0 pt -106.29 156.77 36.34 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.334 . . . . 75.24 111.46 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.71 148.84 42.27 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.616 2.211 . . . . 73.51 112.206 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 130' ' ' ALA . 13.9 t80 -124.76 124.78 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 74.42 111.015 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.11 155.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.829 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.67 129.76 56.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 72.01 110.856 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.7 p -143.97 165.64 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 74.23 111.006 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.73 123.75 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 75.23 110.735 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.47 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.54 111.263 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -77.8 -51.28 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 73.15 111.111 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 p -88.08 -20.35 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 64.4 111.436 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 63.34 61.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 73.22 110.596 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -119.76 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 75.03 110.95 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.61 8.84 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.847 -0.692 . . . . 71.22 112.906 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -57.42 -40.4 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 74.03 111.162 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.4 mt-10 -73.69 -31.69 63.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.827 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.01 -34.77 76.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.836 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.44 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 62.42 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -69.03 -49.6 56.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 m-85 -56.64 -28.8 61.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 99.0 m -59.01 -43.27 91.52 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.274 -0.421 . . . . 72.14 110.612 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.94 -44.23 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 73.2 110.515 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.6 t -51.29 -46.95 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.198 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -31.97 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 71.02 110.8 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.93 -51.71 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.111 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 32.0 mt -56.74 -45.38 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.349 -0.387 . . . . 75.34 111.01 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -26.42 66.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 74.02 111.167 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -95.49 26.13 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 71.42 111.198 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 73.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 74.32 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.82 149.78 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.822 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.83 110.45 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 71.02 110.842 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -97.88 116.02 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -90.7 92.17 8.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 73.4 110.763 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -91.97 134.55 34.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.152 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.429 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 60.6 t -109.67 105.3 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.88 140.26 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 71.33 110.87 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.2 m -141.02 137.6 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.206 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.5 154.55 19.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.408 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 175.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 74.13 111.128 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 -44.41 92.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 71.41 112.422 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.44 54.18 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.423 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -117.07 -39.39 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 75.53 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.25 47.31 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 63.34 112.695 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -73.62 -33.24 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 71.12 110.731 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 p -71.36 -31.9 67.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 74.45 111.011 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 -63.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.258 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.51 -24.71 33.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 63.23 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.1 m -67.1 -43.88 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 74.34 111.186 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.65 -30.4 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 75.32 110.924 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -56.22 -39.96 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 65.24 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.8 -35.44 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 75.11 110.963 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.17 -69.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.406 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.063 -179.718 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.818 0.342 . . . . 74.41 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.74 117.65 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.857 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -113.69 150.09 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.981 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.36 135.71 41.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.41 110.843 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.41 174.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.155 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.1 106.54 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.991 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.15 124.3 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.138 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.68 39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 65.04 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.03 28.67 61.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 73.32 112.538 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -146.27 104.44 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 75.54 110.882 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.7 m -58.96 128.86 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.829 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.9 m -145.22 152.11 39.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.992 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.52 136.83 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 74.42 110.876 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -106.69 79.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 75.33 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.56 93.58 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 mm -84.25 110.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.143 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.52 123.75 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 75.3 110.911 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.81 100.04 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.907 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -85.1 -175.8 5.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.35 111.13 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.737 0.303 . . . . 74.11 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.8 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.724 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -33.22 58.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 63.45 110.614 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -68.87 -39.39 79.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 74.03 110.702 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -58.42 -36.73 74.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.741 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -48.22 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 64.31 110.075 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 47.1 mtm180 -67.89 -12.0 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.616 . . . . 73.33 111.191 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.6 p -99.25 -11.77 20.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.67 0.272 . . . . 74.44 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -110.36 148.57 17.54 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.605 -0.807 . . . . 72.04 113.254 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.89 -21.67 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 75.15 110.633 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.64 -174.3 13.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.039 -0.6 . . . . 75.52 112.138 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -150.55 134.85 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 74.43 111.021 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 108.83 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.945 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -88.82 128.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.876 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.15 133.85 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.056 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.99 130.22 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.645 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.21 123.75 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 75.4 111.103 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.8 pt -60.17 -31.37 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -71.35 -25.91 62.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 70.01 110.928 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -114.62 99.69 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 74.1 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -58.41 -27.71 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -57.49 -45.11 85.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.842 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.65 -36.88 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 55.44 110.854 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.94 -36.97 78.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.821 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.81 -28.89 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.35 110.952 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -70.69 -32.84 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.995 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.07 -29.65 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 72.35 110.756 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.86 -55.43 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.61 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.46 -28.81 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.997 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.07 -41.66 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 71.14 110.836 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -63.57 -36.55 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 63.44 110.934 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.25 -41.21 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.009 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -37.64 82.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.04 -49.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 71.03 111.09 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -35.46 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 75.1 110.949 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -58.02 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.855 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.404 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 54.5 t -58.05 -59.18 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.023 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -25.71 67.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t70 63.58 43.5 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 71.25 110.803 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -174.3 154.29 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.94 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -34.49 29.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 71.25 110.756 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -75.43 98.48 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 60.31 110.716 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 58.9 t -139.57 136.9 18.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.887 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.2 Cg_endo -71.89 101.13 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.784 2.322 . . . . 63.34 112.128 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.5 ptp -145.39 168.73 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.992 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.3 t -145.31 145.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 75.05 111.058 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -108.9 107.85 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 75.43 110.928 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.34 150.5 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.182 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.99 100.2 1.02 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 73.23 112.429 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -76.71 168.57 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 74.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mttp 60.56 64.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.971 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.26 -15.11 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.41 111.164 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -88.85 -25.91 21.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.299 . . . . 72.01 111.134 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.1 mt -53.02 150.91 5.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 64.31 111.08 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.1 31.04 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.154 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.02 70.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.11 111.114 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.99 84.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.845 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.8 p -56.51 -34.81 67.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.5 t -110.47 124.11 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.5 162.4 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 71.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.6 t -70.33 -38.47 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 111.009 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -55.75 -46.09 77.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.31 -38.32 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.8 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.096 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.406 ' HG2' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -68.61 -31.02 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.871 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.21 -43.68 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.74 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 137' ' ' TYR . 15.6 tp -72.73 -48.72 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.706 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.11 -39.91 76.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 72.23 111.079 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -64.84 -29.82 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 110.941 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -72.75 -35.29 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.584 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.408 ' CE2' ' HG ' ' A' ' 133' ' ' LEU . 20.2 m-85 -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 74.12 111.019 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.9 17.6 65.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.717 -0.754 . . . . 62.1 112.544 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.2 pt -112.52 156.86 41.66 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 72.1 111.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.04 157.04 61.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.608 2.205 . . . . 74.33 112.436 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.406 ' CD2' ' HG2' ' A' ' 131' ' ' GLN . 80.8 t80 -129.19 116.88 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 75.51 110.548 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.94 156.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.195 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -114.41 134.05 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.868 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.7 p -144.14 166.86 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 73.25 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 p -137.72 113.53 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.845 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.79 -23.7 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.402 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.135 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.72 -20.0 61.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.31 111.292 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 66.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 75.42 110.787 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.85 125.2 50.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 74.41 110.829 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.35 27.69 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.697 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 t -57.73 -55.9 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 74.04 111.052 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.7 -25.95 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 71.02 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.65 -50.6 72.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 71.44 110.851 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.29 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.923 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.04 -50.48 73.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.779 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -54.05 -33.98 58.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 75.44 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.0 m -58.04 -42.84 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 75.12 110.909 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.95 -43.52 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.924 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.7 t -53.88 -55.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 75.44 111.145 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -52.77 -40.44 63.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.084 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.41 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 163' ' ' ILE . 27.4 mt -65.32 -44.62 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.242 -0.435 . . . . 75.31 111.196 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -49.91 56.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.354 -0.384 . . . . 74.42 111.084 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.44 -27.34 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.942 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 74.32 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 70.24 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -125.93 144.21 50.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 72.13 110.793 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.82 110.48 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 71.11 110.825 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 21.6 m-85 -101.87 107.62 18.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -89.18 95.4 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 70.44 110.817 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -90.01 110.2 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.12 111.045 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.85 104.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.047 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.95 119.71 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.58 150.25 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 71.43 111.046 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.42 -73.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.635 -0.793 . . . . 72.45 112.549 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -179.46 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 73.32 111.074 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.81 -29.07 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 73.1 112.449 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' HA2' ' O1A' ' A' ' 201' ' ' GNP . . . -136.89 32.37 2.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 72.35 112.471 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.44 -26.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 74.01 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.11 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 63.24 112.635 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -60.76 -43.96 97.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 75.25 110.736 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -63.48 -43.0 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.18 94.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 70.23 111.148 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.61 -29.09 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -67.4 -56.6 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 72.44 110.967 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 40' ' ' TYR . 44.8 mm -54.17 -29.75 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 64.32 111.277 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.946 0.403 . . . . 65.02 110.593 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -67.33 -17.22 64.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.544 . . . . 72.4 111.165 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 42.0 mm -90.81 -69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 73.24 111.79 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.63 -14.28 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.441 -0.345 . . . . 73.41 111.688 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 68.0 35.46 3.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 71.23 110.831 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -132.51 157.7 43.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 72.55 110.807 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -77.09 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 71.43 110.479 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 303' ' ' HOH . 10.6 t -52.49 105.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 75.4 111.319 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -116.4 -37.18 3.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.702 . . . . 75.11 110.894 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -148.58 121.2 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 74.12 110.666 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -145.75 172.66 12.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.45 110.891 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.85 94.56 9.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.809 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.77 -167.33 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.54 2.16 . . . . 74.13 112.294 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t 64.29 23.08 12.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.42 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.8 pp -156.83 -178.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 73.53 110.956 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.72 108.03 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 73.11 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.57 64.23 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.842 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.9 p -110.17 144.19 39.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 52.14 110.987 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' CE1' HD11 ' A' ' 21' ' ' ILE . 10.9 m-85 -139.27 127.42 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.806 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -108.75 127.42 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 74.34 110.899 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.66 145.97 50.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -92.25 131.98 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.727 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 m -145.92 179.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 72.52 111.226 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -126.7 100.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 65.11 111.048 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.3 mt -116.95 136.98 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 65.03 111.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.21 28.25 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.921 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.72 32.02 77.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 65.24 112.551 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -146.08 106.39 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.53 111.002 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.1 m -61.76 125.66 24.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 62.41 110.739 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 96.5 m -148.83 163.65 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.34 111.074 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.09 148.16 25.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 75.55 110.596 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -121.98 81.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 75.11 111.108 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 98.31 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.821 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.1 mm -89.03 112.01 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.17 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.6 118.99 35.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 74.52 110.53 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.6 97.3 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.643 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.9 p -75.2 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.935 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.45 120.5 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 61.41 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.82 -24.22 72.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 64.24 112.592 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -170.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 75.22 111.007 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.46 150.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.952 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.59 127.63 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 72.01 110.785 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CG ' ' HG3' ' A' ' 67' ' ' MET . 0.2 OUTLIER -176.17 37.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.42 110.888 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -35.59 65.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 73.23 110.767 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' O3A' ' A' ' 203' ' ' KOB . . . -57.54 -28.46 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.746 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.464 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.0 mmt -78.37 -38.43 41.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 74.35 110.386 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -59.76 4.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.772 -0.649 . . . . 75.13 111.476 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -49.46 -27.14 3.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 64.33 111.63 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' NE2' ' H5 ' ' A' ' 203' ' ' KOB . 6.7 tp60 -81.65 -38.37 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.416 -0.356 . . . . 75.02 111.267 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 67' ' ' MET . 21.4 m-85 -68.33 -36.17 78.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 74.33 111.548 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 78' ' ' PHE . 1.6 mtt -66.54 -38.17 86.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.012 0.434 . . . . 64.44 110.266 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -79.06 -14.79 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 72.31 111.492 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.0 p -100.6 -21.12 15.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.788 0.328 . . . . 72.3 110.819 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.98 149.72 20.1 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.831 -0.7 . . . . 72.02 113.172 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.03 -18.11 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 75.11 110.789 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.93 164.63 32.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.02 -0.61 . . . . 74.14 112.166 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 15.4 m-85 -128.28 142.92 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 75.24 111.17 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.04 117.16 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 74.33 110.814 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.74 104.16 16.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 64.42 110.942 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.82 132.9 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.03 110.91 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -144.85 152.39 40.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.796 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.7 123.78 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 72.11 111.024 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.9 pt -57.88 -30.3 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 73.5 110.96 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.53 -16.77 62.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.851 -0.613 . . . . 73.4 111.076 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.49 104.38 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 74.43 111.007 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 m -65.42 -25.2 67.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.939 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -68.03 -41.91 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 63.23 110.68 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -58.89 -37.45 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.81 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -61.04 -28.08 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 74.41 110.77 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.7 -37.34 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 75.01 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 72.43 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.3 mm -59.66 -27.38 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 74.03 110.819 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.61 -55.36 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.14 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -30.03 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.445 -0.343 . . . . 71.4 111.116 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -63.28 -43.78 96.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 73.34 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -61.3 -38.39 86.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 74.24 111.065 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.18 -29.03 44.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.046 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -43.27 45.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.749 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.407 HG22 ' CE1' ' A' ' 78' ' ' PHE . 61.9 mt -59.61 -50.45 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.51 110.982 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.01 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 64.03 111.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.39 -52.14 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 73.44 111.051 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -22.46 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 74.21 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.0 t0 64.38 47.93 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 72.0 110.736 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.27 136.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 73.5 110.737 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -70.78 -37.59 73.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 65.21 111.054 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -93.38 91.09 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.183 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -115.32 153.36 47.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.879 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 105.99 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.492 2.128 . . . . 75.4 112.262 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.8 ptp -154.29 170.74 20.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.926 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.54 149.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.139 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.46 103.25 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.83 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 20.1 t -102.0 145.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 74.54 111.219 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.32 90.01 0.54 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 64.21 112.418 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.72 168.92 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.4 111.027 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt 61.96 67.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.7 t -104.47 -14.98 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 44.14 111.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -85.42 -24.55 27.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 55.43 111.151 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.86 165.38 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.35 . . . . 75.3 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.46 26.21 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 54.33 111.485 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -147.02 65.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 72.02 110.986 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -79.35 124.89 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 74.25 111.264 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.2 p -94.79 -41.32 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 75.43 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.03 94.17 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.022 -0.536 . . . . 73.43 110.666 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.86 157.93 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 74.52 111.036 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 p -56.84 -29.85 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 62.33 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -59.55 -43.14 93.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 75.4 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -34.29 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 72.51 110.999 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 141' ' ' TYR . . . -79.57 -36.53 38.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.24 111.085 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.59 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.88 -29.14 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.843 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.0 tp -80.45 -50.42 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.894 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.75 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -31.28 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 72.4 110.566 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -74.87 -27.91 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.603 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.4 -17.26 39.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 70.03 111.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.42 15.64 61.74 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.7 -0.762 . . . . 64.13 112.386 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.7 pt -112.6 156.85 41.76 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.763 0.316 . . . . 74.43 111.515 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.06 153.62 52.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.586 2.19 . . . . 75.51 112.327 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 130' ' ' ALA . 65.0 t80 -123.56 117.92 26.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.692 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.16 158.15 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.107 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -123.84 131.51 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.15 110.828 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 33.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 74.41 111.063 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -142.29 114.54 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.52 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.75 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.02 111.46 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -85.91 -66.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.341 . . . . 64.14 111.236 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -20.62 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.264 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 64.66 67.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 71.41 110.746 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.66 121.52 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.974 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 53.3 27.32 31.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 55.33 112.794 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.26 -55.27 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 75.54 111.108 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.418 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 59.8 mt-10 -66.79 -27.88 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 70.15 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -36.44 73.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 74.54 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -71.43 -48.39 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.035 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 47.7 m-85 -61.19 -48.44 81.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.05 110.786 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.1 m-85 -50.48 -31.27 14.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 75.04 110.95 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.4 m -60.4 -39.18 86.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.109 -0.496 . . . . 63.02 110.86 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.09 -48.01 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 75.23 110.953 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.89 -38.87 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 63.14 111.051 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -69.82 -30.05 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.85 -50.2 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 62.02 110.838 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.17 -45.06 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.179 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -57.54 -44.56 85.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 75.33 110.978 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -79.17 -21.36 46.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.03 111.179 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.15 -0.929 . . . . 74.31 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.528 ' O1G' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.387 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.528 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.471 ' O ' HG22 ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.807 0.337 . . . . 75.32 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 149.8 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.701 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.34 109.53 21.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -97.01 129.32 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.715 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -106.2 93.55 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.989 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.56 132.04 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 72.41 111.009 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.14 137.38 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.24 111.226 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.71 123.45 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.987 -0.551 . . . . 75.05 111.2 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.6 m -104.16 166.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 75.25 110.979 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.28 169.08 41.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.652 -0.785 . . . . 74.11 112.541 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.69 27.68 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 73.03 111.247 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.31 60.27 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.696 -0.764 . . . . 73.11 112.801 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.89 31.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 72.13 112.214 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 m -106.67 -22.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.21 111.241 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.24 11.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.671 -0.776 . . . . 73.13 112.398 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.35 -32.34 73.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 74.11 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 303' ' ' HOH . 11.4 p -76.32 -43.76 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 62.31 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.51 -34.77 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 63.52 111.187 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.2 -36.22 81.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 74.22 110.767 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -70.51 -55.62 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 70.24 111.057 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.16 -30.44 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.371 -0.377 . . . . 75.43 110.958 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -59.94 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 74.32 110.625 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.0 tp -76.68 -11.38 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 74.45 111.285 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -103.22 -72.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.713 0.292 . . . . 74.43 111.435 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -92.57 -12.67 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 75.33 111.516 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 43.64 32.0 0.51 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.855 0.359 . . . . 71.12 111.347 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -113.61 -12.29 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 70.52 111.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.498 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.7 OUTLIER 75.49 125.83 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.428 -0.351 . . . . 74.44 110.748 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 32' ' ' TYR . 25.2 t -53.27 145.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 74.15 111.194 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.29 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.679 -0.692 . . . . 74.53 110.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 77.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 74.15 110.752 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CE1' ' CG1' ' A' ' 29' ' ' VAL . 2.7 p90 -140.19 175.72 9.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.997 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.48 92.76 8.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.718 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.72 179.54 5.89 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.629 2.219 . . . . 73.52 112.37 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t 69.2 12.4 8.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.231 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -127.63 -3.66 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.548 -0.296 . . . . 75.31 111.768 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 55.09 67.17 1.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.877 0.37 . . . . 62.0 111.017 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.56 61.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.934 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 t -57.42 160.86 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.817 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -131.28 168.02 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.961 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ptt-85 -145.66 116.02 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 73.11 110.941 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -107.42 131.3 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 73.53 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -88.13 119.69 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.803 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.65 -179.29 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.242 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.0 102.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.147 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.8 mt -111.71 135.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.086 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.99 31.35 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.51 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.7 84.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 65.12 112.5 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -144.63 108.4 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 75.23 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -60.5 120.03 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.785 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.8 m -144.65 149.45 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.925 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 145.52 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 mt -120.01 84.06 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.811 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.7 90.6 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mm -78.38 114.82 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.778 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -98.27 121.57 40.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 75.1 111.026 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.63 101.87 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.723 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 p -79.6 -173.88 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.056 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.5 135.61 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 74.43 111.157 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.44 12.78 68.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 72.43 112.761 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -149.11 -168.73 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.332 . . . . 72.41 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 15.93 9.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.193 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 46.68 91.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.898 0.38 . . . . 71.4 111.183 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 0.1 OUTLIER -135.22 29.48 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.961 -0.563 . . . . 74.51 110.736 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -56.01 -32.41 63.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 75.2 110.283 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -27.78 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 64.34 110.631 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.603 ' HE3' ' N6 ' ' A' ' 203' ' ' KOB . 2.0 mmt -84.05 -33.72 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.82 -0.627 . . . . 72.53 110.674 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -55.92 -56.91 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 73.32 111.361 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.25 -30.15 2.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.96 0.41 . . . . 72.25 110.752 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HG2' ' N8 ' ' A' ' 203' ' ' KOB . 6.1 tp60 -79.71 -44.79 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 71.34 110.172 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.637 ' CD1' ' C9 ' ' A' ' 203' ' ' KOB . 37.7 m-85 -56.44 -30.84 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.53 . . . . 73.3 111.111 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.439 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -74.0 -38.84 63.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 73.35 109.823 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -81.48 -21.01 38.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.641 -0.709 . . . . 72.14 111.225 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.411 HG21 ' HG3' ' A' ' 70' ' ' GLN . 58.6 p -98.0 0.49 46.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.558 -0.292 . . . . 54.22 110.73 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -114.82 150.17 18.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.688 -0.768 . . . . 62.53 113.289 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -19.3 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 75.12 110.556 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.26 178.28 24.99 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.993 -0.622 . . . . 42.52 112.282 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 72' ' ' MET . 45.9 m-85 -143.01 133.31 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.24 111.067 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.89 123.61 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 71.11 110.756 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 91.1 m -96.86 116.32 28.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.928 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.45 117.22 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.4 111.185 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.89 141.22 47.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.566 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.25 123.59 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 75.22 111.098 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 pt -59.32 -21.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.3 111.107 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.8 -34.9 51.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 74.32 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -99.37 114.23 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.3 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -72.25 -28.1 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 75.04 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -61.13 -39.44 90.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.372 -0.376 . . . . 74.24 110.553 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.1 m -63.24 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.707 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -62.84 -43.26 99.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 74.11 110.746 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.05 -27.5 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 53.23 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -69.11 -34.7 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 75.21 110.923 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.69 -25.75 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.859 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -77.54 -55.37 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.791 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -28.27 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 73.34 111.039 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.78 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 73.21 110.948 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.82 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.685 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.0 -31.52 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 64.41 110.98 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -39.28 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.96 -45.79 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.051 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -55.25 -27.56 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.945 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -74.91 -57.82 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.896 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.17 -53.61 46.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -27.97 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.972 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t70 63.51 47.17 3.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -173.27 141.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -74.76 -35.87 62.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.54 85.68 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.53 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 153.35 51.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.27 108.99 2.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.589 2.193 . . . . 73.53 112.363 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 6.0 ptp -160.41 170.0 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.811 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.8 t -147.11 149.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 75.42 111.373 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 tp -109.15 102.89 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 74.43 110.576 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.1 t -92.45 144.82 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.3 111.296 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.21 88.57 0.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.825 -0.702 . . . . 73.01 112.375 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.04 173.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.11 111.022 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.1 mptt 58.88 61.53 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.944 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.7 -0.05 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.34 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -102.59 -28.89 11.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.768 0.318 . . . . 63.05 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -54.9 150.36 10.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.032 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.26 35.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 63.31 111.274 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.13 71.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.3 111.072 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.98 109.88 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 71.13 110.761 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.9 p -84.0 -56.02 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.664 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.6 t -79.78 105.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.905 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.48 160.85 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.962 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.7 m -63.83 -38.56 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.41 111.022 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.26 -46.54 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.961 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -62.72 -41.6 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.957 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.43 81.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.183 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -30.23 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.022 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.75 -35.83 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 65.02 110.965 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -81.28 -51.5 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.52 111.025 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.39 69.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 65.22 111.124 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.66 -31.67 70.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.801 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -72.1 -40.6 68.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -67.56 -22.29 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 74.4 111.005 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.11 17.62 64.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.02 112.43 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.2 pt -110.42 157.02 39.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 74.42 111.452 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.78 151.58 63.38 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 64.23 112.234 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -123.19 118.13 26.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.95 143.97 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.908 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -112.79 132.17 55.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -144.56 -178.18 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 74.52 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 65.32 110.947 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.66 -20.63 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 74.32 111.437 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 73.1 111.244 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 p -70.96 -23.59 62.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 73.11 111.23 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.69 66.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 75.45 110.717 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.18 121.64 41.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 75.43 110.9 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.51 57.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.763 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 37.3 t -56.4 -55.15 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.917 0.389 . . . . 74.53 111.053 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.0 mp0 -61.47 -28.91 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 74.03 110.794 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.76 63.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -54.2 -37.51 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.401 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.86 -50.27 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 74.1 111.009 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 21.1 m-85 -56.12 -28.55 58.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 71.54 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 1.9 m -58.37 -43.04 88.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.03 110.809 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.34 -47.13 87.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.629 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.57 -46.59 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 61.03 111.154 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -37.58 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.736 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.99 -48.34 71.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.773 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.19 -49.98 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.094 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.68 -45.1 66.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.953 -0.567 . . . . 73.13 111.212 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.56 -24.47 42.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 75.14 111.188 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.238 -0.887 . . . . 71.3 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.498 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.319 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.409 ' O ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.964 0.411 . . . . 70.12 111.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.16 149.95 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 72.11 110.462 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.28 120.36 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -108.29 114.62 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.964 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.704 ' HE3' ' HE1' ' A' ' 203' ' ' KOB . 0.4 OUTLIER -88.16 99.7 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.94 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.9 112.24 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.806 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.19 102.04 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 71.51 110.917 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -84.13 137.39 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 75.55 110.975 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -148.34 152.57 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.983 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.27 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 75.33 112.594 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.79 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.681 0.277 . . . . 74.14 111.356 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.35 54.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.789 -0.72 . . . . 62.42 112.196 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.43 -22.82 0.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.837 -0.697 . . . . 54.25 112.61 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -50.31 -26.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.751 0.31 . . . . 72.12 111.44 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 22.03 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 63.12 112.703 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -39.36 87.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 75.4 110.7 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.51 110.808 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -59.91 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 53.25 111.368 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -57.42 -29.27 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.055 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.427 HG23 ' CE1' ' A' ' 40' ' ' TYR . 87.5 m -63.18 -45.9 89.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 43.23 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.425 HG22 ' CE1' ' A' ' 27' ' ' HIS . 41.2 mm -71.39 -33.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.171 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -58.42 -41.94 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 73.32 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.25 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.01 111.07 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -82.28 -69.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.42 111.431 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 43.7 mt-30 -94.56 -97.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.488 -0.323 . . . . 62.15 110.935 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 163.11 70.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.802 0.334 . . . . 75.51 110.626 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' HG22 ' A' ' 21' ' ' ILE . 17.0 p80 -174.98 175.73 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 74.51 111.25 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -88.89 138.51 31.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 73.12 110.617 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -57.55 149.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 75.23 111.059 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 t70 177.5 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 65.11 110.6 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.76 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.931 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -140.42 170.99 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.891 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -106.7 90.91 5.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.935 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.11 -21.97 35.74 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.573 2.182 . . . . 74.43 112.386 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -18.22 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 72.35 111.255 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pp -125.85 172.93 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 74.05 111.243 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.82 126.96 27.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 74.34 111.043 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.85 51.57 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 72.05 110.918 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -103.46 158.05 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 65.43 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CE1' HG23 ' A' ' 20' ' ' THR . 7.8 m-85 -144.57 161.61 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 74.15 110.921 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -135.63 131.28 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 74.03 111.059 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -145.61 146.59 31.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 71.22 110.88 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.23 137.25 34.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 75.32 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -145.63 176.14 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 75.12 111.116 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.94 101.52 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.161 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.6 mt -127.5 138.18 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.068 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.56 30.31 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.911 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.07 30.53 73.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 61.24 112.51 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -141.67 98.13 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 74.45 110.964 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 120.09 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.808 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.1 m -145.46 155.33 43.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.036 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 148.63 33.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.779 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 mt -114.3 89.27 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.988 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.83 96.19 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.45 110.782 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.9 mm -80.52 114.77 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 61.02 111.082 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 71' ' ' TYR . 3.0 tm? -103.86 106.3 16.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 72.53 110.692 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.7 114.05 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.902 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 p -78.75 -173.75 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 62.32 110.805 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 149.33 27.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 71.11 111.215 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.95 -3.91 22.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.859 -0.686 . . . . 71.14 112.685 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -128.28 39.4 3.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 72.33 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.67 148.96 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.883 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 -79.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.785 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 49.94 35.0 8.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 75.52 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.6 p -57.31 -34.37 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.5 -46.97 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.03 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.569 ' HE1' ' N6 ' ' A' ' 203' ' ' KOB . 4.7 ptp -83.88 -30.93 26.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 75.23 110.872 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 36.7 ttp85 -52.38 -42.66 64.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.718 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -66.02 -39.22 90.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.522 . . . . 75.5 110.385 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.14 -39.39 89.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.31 110.638 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.892 ' CD1' ' HD1' ' A' ' 203' ' ' KOB . 44.6 m-85 -57.83 -33.72 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.085 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.68 -40.1 76.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.046 0.451 . . . . 74.44 109.87 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 -81.28 -12.99 58.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.822 -0.626 . . . . 74.33 111.271 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.488 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 70.1 p -97.81 -19.67 18.01 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.843 0.354 . . . . 74.34 110.718 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -95.93 158.4 21.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.689 -0.767 . . . . 74.11 113.408 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -101.56 -15.47 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 71.22 110.742 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.79 163.47 29.36 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.91 -0.662 . . . . 65.31 112.376 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 4.5 m-85 -130.93 143.31 50.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 74.14 111.214 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.86 117.7 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 74.45 110.887 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.06 102.83 14.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.7 p -111.74 129.48 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.54 111.167 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -143.54 163.55 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.82 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.9 129.17 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.004 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.6 pt -67.5 -31.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.258 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -65.57 -19.6 65.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 62.44 111.043 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -121.11 104.95 10.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 74.44 110.829 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -61.47 -27.23 68.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 62.25 111.08 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -55.27 -46.57 76.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 73.02 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -57.45 -40.96 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.642 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE1' HD22 ' A' ' 133' ' ' LEU . 37.6 t80 -61.15 -27.0 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 75.13 110.566 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.76 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 71.5 110.853 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -75.12 -31.31 61.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.65 -36.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 75.53 110.643 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -64.42 -55.47 20.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 64.33 110.809 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -67.1 -29.9 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 70.3 111.189 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.75 -54.91 36.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 73.24 111.039 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.0 ttm-85 -50.84 -37.05 40.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 71.42 111.347 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.52 -37.92 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.381 . . . . 74.45 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.06 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 75.12 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 78' ' ' PHE . 43.5 mt -74.96 -38.45 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.325 -0.398 . . . . 64.41 110.925 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.03 -54.19 44.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 75.53 111.014 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.16 76.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 74.03 111.414 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.5 -65.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 75.23 111.136 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' HD2' ' CE1' ' A' ' 78' ' ' PHE . 5.4 mtpm? -59.34 -23.22 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 73.33 111.051 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t0 63.32 52.11 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 73.31 110.938 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.31 150.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.43 110.825 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -88.24 -30.64 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -93.75 85.18 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.921 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.9 m -124.38 152.56 68.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 70.32 111.095 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.18 107.08 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.572 2.181 . . . . 73.35 112.437 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 6.1 ptp -150.24 173.11 14.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.901 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.6 t -150.7 161.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 73.4 111.155 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.65 111.24 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.846 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 24.2 t -109.19 155.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.257 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.93 92.39 0.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 53.14 112.393 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 165.87 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 72.44 111.066 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.4 mttt 60.89 58.97 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.952 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.85 -4.77 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 63.23 111.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.36 -15.02 15.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 73.45 111.343 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.5 mt -49.81 151.16 1.88 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.798 0.332 . . . . 72.41 111.175 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -99.71 16.74 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.61 61.11 1.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.834 0.349 . . . . 70.23 111.042 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -79.53 156.18 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.024 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -125.34 -47.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.794 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.1 t -96.3 96.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.032 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -58.21 159.6 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 53.53 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.2 t -55.96 -29.83 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 65.42 111.066 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -59.78 -46.22 89.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.54 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.34 -31.71 73.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 65.21 110.999 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.74 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 65.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -32.21 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -67.73 -31.54 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.55 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 90' ' ' PHE . 20.9 tp -78.95 -51.28 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.53 98.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 72.44 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -27.17 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 75.34 110.959 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -76.45 -33.73 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 75.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.406 ' HB2' HG12 ' A' ' 139' ' ' ILE . 22.2 m-85 -84.11 -4.95 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.21 111.407 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.81 21.89 75.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 62.22 112.544 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 137' ' ' TYR . 16.8 pt -112.8 153.85 45.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 73.21 111.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.08 163.81 37.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.526 2.151 . . . . 65.32 112.193 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 122.59 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 mp -119.89 156.46 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.953 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -124.28 123.51 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.8 p -135.9 177.41 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.51 111.088 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -149.6 114.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 75.34 110.865 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.12 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 74.14 111.403 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -80.06 -66.29 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 75.2 111.202 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 p -72.83 -18.05 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 72.1 111.416 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.88 65.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 75.12 110.678 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 126.35 54.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 74.2 111.116 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 49.71 26.52 7.95 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.969 -0.634 . . . . 75.33 112.891 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.7 t -56.67 -55.33 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 75.21 111.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.0 mt-10 -65.61 -27.17 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 73.25 110.851 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -40.15 75.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.911 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.56 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.008 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.85 -47.16 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.79 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.7 m-85 -53.39 -34.58 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 73.35 110.955 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.1 m -59.13 -35.11 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.54 110.866 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.98 -36.86 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.003 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.12 -28.57 64.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 73.34 110.766 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -74.2 -50.29 19.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.942 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 163' ' ' ILE . 15.5 mt -59.54 -45.75 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.311 -0.404 . . . . 63.31 111.134 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -43.39 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.989 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.44 6.78 39.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.53 111.541 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.889 . . . . 62.14 110.825 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.616 ' N3B' ' O ' ' A' ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.361 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . 0.616 ' O ' ' N3B' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 73.44 111.228 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -65.49 149.77 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 72.33 110.549 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -106.86 119.63 39.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.984 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CZ ' HG22 ' A' ' 2' ' ' THR . 35.5 m-85 -107.66 108.59 19.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 74.31 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.588 ' HE3' ' HE1' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -92.33 98.37 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 75.53 111.025 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.0 mt -88.44 106.59 18.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 74.54 110.819 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.19 102.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 74.51 110.959 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.13 123.17 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 73.13 111.273 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -122.32 150.36 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 176.95 39.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 54.42 112.476 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.96 135.74 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.33 111.208 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 114.46 1.85 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.956 -0.64 . . . . 55.31 112.629 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.6 12.58 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 70.12 112.424 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.1 m -98.61 -26.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 74.43 111.16 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.8 15.33 31.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.05 112.603 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.343 . . . . 72.24 110.735 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -81.56 -31.75 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 65.4 110.849 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.3 111.285 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.4 mt -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 75.23 111.069 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -62.71 -58.6 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.358 -0.383 . . . . 64.21 111.01 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.432 HG21 ' CE1' ' A' ' 27' ' ' HIS . 1.7 mp -58.7 -28.59 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.265 -0.425 . . . . 75.42 111.072 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -58.91 -48.15 82.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 71.21 110.795 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 tp -75.87 -10.46 59.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 72.5 111.221 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.42 -69.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 74.33 111.337 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -97.24 -27.03 14.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 73.42 111.198 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.81 24.52 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.802 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 21' ' ' ILE . 2.7 p-80 -105.29 -10.27 17.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 75.42 111.222 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CZ ' " O2'" ' A' ' 201' ' ' GNP . 10.9 t80 74.7 127.9 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.302 -0.408 . . . . 74.21 111.069 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.8 t -57.07 144.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.294 -0.412 . . . . 74.41 110.556 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.3 t70 174.88 -34.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 72.02 110.684 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.8 26.58 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.347 . . . . 73.25 111.111 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -61.04 163.14 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 73.35 111.028 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.95 128.41 92.93 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 70.33 110.953 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.38 -40.69 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.431 2.087 . . . . 75.51 112.189 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -175.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.11 110.863 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt 46.58 -170.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.34 111.61 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.61 155.07 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.962 -0.563 . . . . 71.34 110.972 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.26 62.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.33 111.038 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -119.34 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 75.23 110.783 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -142.86 128.96 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 75.04 110.933 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -111.75 138.69 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -133.23 146.43 51.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.813 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -96.33 120.25 36.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.004 -0.544 . . . . 73.44 110.773 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.98 176.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.406 . . . . 64.22 111.29 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 t -122.41 100.84 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 71.33 110.887 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.4 mt -116.49 132.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.152 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.87 35.77 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.01 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.29 35.59 79.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 74.43 112.547 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -147.38 110.31 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 74.45 110.871 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -59.03 119.93 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.754 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.31 148.84 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.051 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.77 137.96 32.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 72.13 110.745 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.1 mt -107.91 76.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.991 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.92 90.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.837 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.5 mm -77.2 112.74 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 70.01 111.038 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 71' ' ' TYR . 1.1 tm? -106.27 114.52 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.427 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -112.82 135.41 53.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -80.31 -173.72 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.05 161.49 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.54 111.265 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.96 -28.91 5.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.126 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -123.08 134.28 54.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 74.14 110.47 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 62.15 116.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 75.14 110.703 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.54 108.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 64.23 110.964 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -154.15 -86.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 72.11 111.191 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.56 -50.1 33.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.791 0.329 . . . . 75.24 111.176 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.26 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.08 0.466 . . . . 74.42 110.934 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.67 ' HE1' ' N6 ' ' A' ' 203' ' ' KOB . 4.9 mmm -84.17 -22.63 30.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.636 -0.711 . . . . 73.12 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -53.79 -47.01 71.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 74.21 110.967 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -28.77 23.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.77 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.587 ' HG3' ' S7 ' ' A' ' 203' ' ' KOB . 13.3 tp60 -82.54 -46.35 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 72.11 110.61 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.809 ' CD1' ' S7 ' ' A' ' 203' ' ' KOB . 53.6 m-85 -56.69 -38.69 72.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.312 -0.404 . . . . 73.31 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -53.01 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.206 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -64.72 -16.74 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.826 -0.624 . . . . 75.45 111.14 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.655 ' HB ' ' HE1' ' A' ' 203' ' ' KOB . 73.7 p -103.1 -0.77 30.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.375 -0.375 . . . . 73.53 111.126 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.43 157.61 15.01 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.549 -0.834 . . . . 71.53 112.947 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.8 -18.38 17.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 71.11 110.984 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.78 175.77 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.1 112.376 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.42 ' CD1' HG21 ' A' ' 100' ' ' ILE . 30.1 m-85 -141.36 140.35 33.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 72.3 111.148 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.95 121.73 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 72.35 110.791 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.9 m -96.08 114.03 25.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 75.04 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.4 113.73 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 63.15 111.047 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.3 p90 -128.1 143.68 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 124.75 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 62.21 111.072 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 pt -58.54 -31.12 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 74.34 110.944 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.63 -17.56 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 65.34 111.035 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -120.3 110.31 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.406 -0.361 . . . . 73.23 110.808 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.43 -25.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 75.03 111.153 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -61.4 -42.27 98.45 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.429 -0.35 . . . . 63.5 110.663 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -32.39 73.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.752 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.31 -51.99 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 74.43 110.773 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.17 -27.82 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 13.9 m-20 -70.6 -34.03 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 65.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.6 mm -60.03 -26.82 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 63.54 110.947 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -74.68 -55.46 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 74.11 110.762 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -65.87 -28.66 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.063 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.5 m-85 -58.99 -36.66 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 71.12 110.9 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -66.08 -35.82 81.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 72.41 110.706 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.95 -30.42 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -76.19 -37.01 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 78' ' ' PHE . 47.4 mt -70.01 -46.82 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.981 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -57.22 -34.57 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.967 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -58.94 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.973 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.12 -52.23 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.967 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -26.49 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t0 64.16 42.61 5.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -164.91 154.78 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -41.03 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.93 88.49 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.57 153.62 47.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.41 111.154 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.77 104.18 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 71.43 112.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.2 ptp -153.24 169.2 23.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.894 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.33 148.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 72.41 111.213 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 82' ' ' PHE . 3.6 tp -112.02 110.54 20.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 61.2 110.812 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.96 154.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.234 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.05 80.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 63.21 112.401 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.13 167.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 75.52 111.096 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.05 63.43 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.958 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 t -105.47 5.7 31.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.1 111.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.28 -29.79 8.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.823 0.344 . . . . 75.52 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.5 mt -55.51 150.14 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.056 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.63 35.92 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 62.11 111.156 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.2 52.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.33 111.155 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -74.8 139.22 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.6 p -111.86 -38.45 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.765 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 77.5 t -104.96 97.91 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.44 110.913 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.43 159.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.107 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 t -58.22 -48.49 80.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.315 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.31 -34.42 33.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 74.25 111.233 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.64 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 141' ' ' TYR . . . -79.51 -34.58 41.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 73.33 110.852 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 72.31 110.696 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.92 -46.53 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.691 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.66 -45.8 60.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.637 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.77 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.521 . . . . 70.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -40.96 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.827 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -73.58 -30.35 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.729 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 3.8 m-30 -77.31 -24.57 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 73.45 111.047 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.87 17.53 65.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 53.35 112.639 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 pt -114.71 156.94 44.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 64.53 111.538 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.11 155.5 61.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.541 2.161 . . . . 65.4 112.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 130' ' ' ALA . 47.7 t80 -123.21 117.47 25.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.632 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.4 mp -122.46 152.41 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.137 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -116.87 133.29 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.773 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 35.1 p -141.91 173.25 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 65.52 111.248 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.17 118.94 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 73.25 110.67 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.44 -21.59 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.516 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -82.96 -52.47 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 74.44 111.174 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -87.19 -19.24 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 65.15 111.397 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 63.13 63.68 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.946 0.403 . . . . 74.35 110.659 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.97 117.74 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 75.41 111.022 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.91 11.54 60.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.796 -0.716 . . . . 73.34 113.035 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.92 -41.31 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-O 120.84 0.352 . . . . 73.25 111.298 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.6 mt-10 -69.74 -30.53 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -55.68 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 65.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -52.74 -42.45 64.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 72.12 111.379 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.11 -50.77 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.2 m-85 -57.24 -25.54 59.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.14 111.081 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.5 m -57.5 -50.59 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 74.13 111.115 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.87 -38.08 64.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 74.12 110.832 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.41 -46.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.946 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.19 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.735 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.14 -51.01 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 72.2 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 55.1 mt -59.9 -44.37 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.029 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 72.02 110.799 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -104.12 25.27 10.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.037 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.256 -0.878 . . . . 74.0 111.031 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.513 " O2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.342 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 72.31 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.89 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.51 110.749 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.3 113.01 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -102.92 129.02 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.025 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.689 ' HE3' ' HE2' ' A' ' 203' ' ' KOB . 11.7 mmtm -102.42 106.06 16.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.24 110.79 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.1 mt -95.54 109.4 21.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.143 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 6.1 t -88.38 102.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.887 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.91 129.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 72.2 111.268 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.3 m -138.2 154.5 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.042 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -171.15 -163.95 26.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 73.31 112.486 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.29 22.31 9.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.702 0.287 . . . . 72.41 111.339 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.19 -62.54 1.75 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.814 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.19 38.31 3.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 60.45 112.833 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -111.07 -27.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 75.2 111.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.94 26.23 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 74.54 112.494 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -65.03 -32.9 74.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.774 0.321 . . . . 72.31 110.816 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 303' ' ' HOH . 5.5 p -74.21 -30.57 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 61.21 110.876 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.7 31.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.125 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.21 -30.35 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.107 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -65.83 -48.25 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 75.02 110.93 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG22 ' CE1' ' A' ' 27' ' ' HIS . 1.6 mp -76.29 -31.37 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 72.05 110.765 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -61.21 -33.5 73.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 64.41 110.797 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.83 -48.37 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.938 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -72.28 -69.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 71.25 111.228 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.14 -119.62 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.393 -0.367 . . . . 74.55 110.685 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 p30 179.69 39.06 0.0 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.301 0.501 . . . . 74.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CE1' HG22 ' A' ' 21' ' ' ILE . 1.9 p-80 -141.66 175.99 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 71.31 110.795 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 7.4 t80 -89.74 128.95 36.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.704 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG1' ' CE1' ' A' ' 32' ' ' TYR . 19.9 t -55.6 145.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.015 0.436 . . . . 75.45 110.998 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.3 t70 177.2 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.766 -0.652 . . . . 75.32 110.439 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.44 77.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.109 -0.496 . . . . 74.15 110.857 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.459 ' CE1' ' CG1' ' A' ' 29' ' ' VAL . 8.1 p90 -145.1 175.1 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.823 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.84 91.64 4.46 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 75.21 111.003 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.26 -27.14 24.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 72.41 112.367 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m -54.55 -65.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -76.85 -177.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 71.33 110.823 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' CG ' ' HAC' ' A' ' 203' ' ' KOB . 18.5 mp0 -98.32 94.76 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 72.53 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -87.48 53.51 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.42 158.93 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 44.03 110.794 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.77 158.28 39.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 74.42 110.741 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -138.43 106.4 5.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -110.17 145.95 36.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.789 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -108.09 120.04 41.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.75 175.87 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 74.1 111.248 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.78 101.22 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 75.23 111.053 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.0 mt -115.83 137.33 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 64.22 111.087 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.63 16.98 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 63.33 111.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.69 -19.26 49.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.634 -0.793 . . . . 72.41 112.917 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.47 154.51 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 72.45 111.05 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -90.02 130.31 36.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 73.32 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 m -150.48 147.03 27.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 60.43 111.053 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 159.12 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 73.41 110.718 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -127.27 91.19 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 75.44 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -79.8 100.92 8.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.805 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.5 mm -85.26 108.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 70.12 111.213 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD23 ' CG ' ' A' ' 71' ' ' TYR . 20.5 tp -90.26 123.51 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 73.14 110.664 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -113.46 86.34 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.058 -0.519 . . . . 73.22 110.895 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 26.2 p -75.48 179.45 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 74.3 111.0 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.14 116.85 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 73.41 111.163 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.66 74.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 63.21 112.363 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.31 2.43 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.649 0.261 . . . . 72.53 111.317 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.46 35.14 12.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 73.43 111.082 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.93 -33.17 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 71.4 110.894 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.413 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 1.4 m-85 -105.62 85.44 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 p -74.97 -45.48 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 71.21 110.978 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.04 -39.28 74.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 65.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.413 ' HG3' ' CD1' ' A' ' 64' ' ' TYR . 3.5 mtm -81.76 -23.25 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.98 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -53.02 -47.08 68.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 75.4 111.059 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -40.52 85.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.786 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' CB ' ' O3B' ' A' ' 203' ' ' KOB . 4.8 tp60 -58.55 -42.32 87.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE1' ' H5 ' ' A' ' 203' ' ' KOB . 19.4 m-85 -59.39 -36.11 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 75.51 110.777 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HB2' ' CG1' ' A' ' 103' ' ' VAL . 1.9 mtt -67.81 -41.99 82.26 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.594 -0.521 . . . . 73.54 109.594 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 50.1 mtm180 -73.88 -11.84 60.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 74.35 111.007 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 p -99.49 -30.5 12.13 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.958 0.409 . . . . 73.52 110.717 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -87.32 155.97 27.73 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.868 -0.682 . . . . 72.04 113.998 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.92 1.32 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.401 -0.4 . . . . 72.12 110.614 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.3 140.73 5.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.132 -0.556 . . . . 54.53 111.947 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.442 ' CG ' HG12 ' A' ' 100' ' ' ILE . 9.7 m-85 -112.89 153.82 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 73.33 111.427 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.56 112.96 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.629 . . . . 74.53 110.817 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.5 m -91.38 103.1 15.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 52.1 110.81 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -112.16 130.99 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.24 111.146 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -142.27 162.41 35.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 74.31 110.811 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.27 123.7 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 54.43 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.56 -24.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.086 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.58 -30.7 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 51.15 110.809 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -107.96 112.62 25.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.3 m -70.09 -27.18 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.94 -30.06 70.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.606 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 m -71.79 -40.25 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.567 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.71 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.19 -29.32 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.34 110.932 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -75.97 -31.59 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 75.25 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.4 mm -60.65 -30.48 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.945 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.73 -55.38 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.906 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -65.55 -28.46 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 74.42 111.174 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 10' ' ' GLY . 2.8 m-85 -58.87 -36.08 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 75.01 111.029 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 1.9 ttt180 -65.11 -35.29 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.761 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.88 -29.97 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.53 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.888 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG12 ' CG ' ' A' ' 78' ' ' PHE . 2.8 mp -61.35 -41.61 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 73.25 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.35 -34.31 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.35 110.93 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -71.81 -57.79 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.604 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 57.5 t -56.55 -53.9 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 75.31 110.995 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -24.16 67.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 75.12 110.918 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 t0 63.97 40.92 6.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 64.23 110.755 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 144.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 72.54 110.878 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.93 -39.84 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 71.13 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -77.79 94.52 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.42 154.74 77.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.175 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 101.05 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 73.34 112.338 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.6 mtm -134.31 169.36 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.73 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.6 t -144.99 155.79 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 73.22 111.179 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tp -130.77 108.6 9.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 73.04 111.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.34 141.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.149 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.1 84.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.801 -0.714 . . . . 64.54 112.435 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.81 165.17 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.44 110.986 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 60.77 74.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 t -107.34 -22.79 12.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 54.02 111.138 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.5 -29.79 52.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 72.24 111.154 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.22 152.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 73.05 111.183 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.71 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 63.2 111.304 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.04 66.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.12 109.15 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.782 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -80.84 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.574 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 39.5 t -77.18 109.28 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 75.34 110.902 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.43 157.89 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 65.2 111.052 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.7 p -66.5 -38.67 87.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 64.22 111.014 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -56.37 -43.42 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.02 -37.84 84.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.09 -36.53 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.3 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.2 -41.55 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.439 ' CD1' ' CE1' ' A' ' 137' ' ' TYR . 17.9 tp -73.33 -51.41 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.41 -44.95 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.167 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -41.63 87.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.845 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -73.23 -38.0 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.685 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.439 ' CE1' ' CD1' ' A' ' 133' ' ' LEU . 2.7 m-30 -63.04 -25.34 68.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 73.45 111.009 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.78 12.96 60.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 71.23 112.672 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.64 154.91 44.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.307 . . . . 64.13 111.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.48 158.71 53.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.575 2.183 . . . . 74.52 112.333 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -122.23 116.37 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 mp -118.24 153.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.13 110.955 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -119.9 120.56 36.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.96 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 67.0 p -132.23 170.17 15.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.162 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.2 p -141.3 112.24 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 75.5 110.804 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.21 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.544 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.17 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 75.14 111.338 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -70.16 -21.58 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 63.43 111.312 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.64 72.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 74.15 110.662 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -126.85 122.08 33.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 62.32 110.857 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 60.71 17.01 48.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 75.35 112.908 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.23 -55.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.832 0.348 . . . . 72.24 111.044 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -27.57 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.749 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -49.39 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.949 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.86 88.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 72.42 111.28 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.45 -51.91 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 74.12 111.135 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -54.74 -32.37 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 75.33 111.035 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 3.3 m -57.84 -43.65 86.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 64.34 110.897 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.0 -42.46 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.666 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.7 t -51.7 -56.55 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.021 -0.536 . . . . 63.32 111.259 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -34.96 71.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.191 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.73 -49.47 62.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 74.12 111.081 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 78.2 mt -55.86 -35.35 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.385 -0.37 . . . . 71.21 111.169 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -30.61 69.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.53 110.691 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.27 27.53 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.41 111.064 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.275 -0.869 . . . . 75.44 110.972 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.504 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.317 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.443 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.433 ' O ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.784 0.326 . . . . 72.34 111.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.2 149.77 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.821 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.02 115.32 30.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.1 120.53 42.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 74.15 111.072 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' CB ' ' HA2' ' A' ' 75' ' ' GLY . 2.8 mmtm -101.83 96.44 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.824 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.82 116.14 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 70.2 111.126 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.7 t -94.89 106.41 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.33 147.68 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 72.34 111.307 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -154.91 148.33 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.073 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . 139.98 74.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.654 -0.784 . . . . 72.14 112.796 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 55.9 -163.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.693 0.282 . . . . 74.22 111.197 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 0.03 6.63 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.757 -0.735 . . . . 74.35 113.136 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -10.72 10.22 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.691 -0.766 . . . . 74.44 112.71 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 10' ' ' GLY . 26.1 m -56.56 -31.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 73.51 111.234 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.9 24.06 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 63.04 112.373 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -59.04 -32.59 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 73.54 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -34.46 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.846 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -58.13 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.084 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -56.52 -26.38 54.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.033 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.7 m -69.68 -58.35 4.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 74.31 110.788 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 40' ' ' TYR . 49.6 mm -57.52 -33.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.007 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -58.93 -44.98 91.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.51 110.756 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.58 -5.74 48.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 75.13 111.41 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.62 -70.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 72.52 111.042 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -97.26 -21.6 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 74.42 111.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 72.62 74.94 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -176.44 158.19 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.927 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.5 OUTLIER -75.28 108.49 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.678 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.23 150.43 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 73.04 111.275 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -160.96 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.95 91.22 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.816 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' OH ' ' N3B' ' A' ' 201' ' ' GNP . 38.5 p90 -146.15 172.85 12.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.89 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -98.42 148.53 34.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.23 110.849 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.35 116.01 4.43 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.551 2.168 . . . . 74.43 112.418 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 55.34 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.981 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -147.87 -178.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.181 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.28 -89.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.658 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 46.68 41.05 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 62.43 111.34 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -53.78 161.99 1.0 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 71.14 111.037 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 21' ' ' ILE . 6.8 m-85 -118.45 163.89 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.34 111.068 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -145.73 108.5 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.926 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -117.45 145.93 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.1 140.78 30.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.082 -0.508 . . . . 73.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 m -150.93 158.75 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.066 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.65 100.87 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.058 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.4 mt -123.21 134.44 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.996 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.5 32.86 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.86 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.46 26.81 62.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 74.13 112.574 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -143.16 110.56 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.11 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 127.72 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.869 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -147.77 143.21 27.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.42 111.028 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.44 147.02 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.606 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.22 103.03 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 73.04 111.006 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -96.12 99.86 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.81 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.3 mm -86.07 108.53 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 73.41 111.031 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 71' ' ' TYR . 2.1 tt -85.24 127.28 34.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 65.34 110.981 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -109.59 88.22 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.718 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 p -80.55 -176.3 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.013 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 162.49 13.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 60.41 111.185 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.73 56.64 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 73.35 112.599 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 43.17 81.68 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.851 0.357 . . . . 74.23 111.601 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -118.38 -47.47 2.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.807 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER 178.88 85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.698 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CG ' ' HG3' ' A' ' 67' ' ' MET . 0.5 OUTLIER 178.29 45.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.944 -0.571 . . . . 75.43 110.693 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -28.86 46.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 75.43 111.015 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.48 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 70.54 110.987 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.572 ' CE ' ' N6 ' ' A' ' 203' ' ' KOB . 3.1 mmt -83.45 -29.37 28.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.605 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -55.14 23.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.394 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -48.92 -34.94 13.81 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.199 0.524 . . . . 73.02 110.296 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.883 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 0.9 OUTLIER -60.63 -62.43 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.431 -0.804 . . . . 73.32 111.606 179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CE1' ' C9 ' ' A' ' 203' ' ' KOB . 37.9 m-85 -49.1 -27.72 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.12 -0.945 . . . . 74.44 111.092 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -42.55 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.122 0.487 . . . . 74.22 109.707 178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HG3' HG12 ' A' ' 103' ' ' VAL . 5.9 mtp-105 -81.65 -18.7 43.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.628 -0.714 . . . . 64.34 111.591 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.436 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 43.7 p -97.68 -16.12 20.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.736 0.303 . . . . 75.11 111.052 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 5' ' ' LYS . . . -95.8 162.32 23.12 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.627 -0.797 . . . . 42.31 113.167 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -104.74 -15.2 15.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 75.45 111.046 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.61 -173.28 21.24 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.871 -0.681 . . . . 71.45 112.273 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -151.76 129.36 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.21 111.043 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.86 120.53 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 73.13 110.842 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.2 m -94.65 109.71 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.873 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.4 t -105.01 113.14 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.05 111.165 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -125.4 139.99 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.771 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.16 123.73 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 73.13 111.085 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.74 -26.5 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 73.55 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -76.89 -30.28 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.897 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.1 109.9 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 75.35 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -70.42 -20.68 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 70.32 111.21 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.1 -46.55 80.63 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.822 0.344 . . . . 72.23 110.652 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.94 -31.01 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 74.35 110.727 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.55 -53.01 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 65.53 110.87 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.39 -28.81 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 72.12 111.1 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -67.74 -31.51 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 71.41 110.962 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.5 mm -61.46 -28.36 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 74.41 110.913 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -74.13 -55.34 6.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.822 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -28.62 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.0 m-85 -64.98 -47.01 79.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 71.43 110.831 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -37.14 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.945 -0.57 . . . . 74.45 110.95 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.06 -36.16 83.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 71.03 110.984 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -32.98 73.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 72.34 111.003 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.2 mt -74.03 -44.44 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.117 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -41.55 65.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 75.44 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -58.85 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.81 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.406 HG12 ' HG3' ' A' ' 73' ' ' ARG . 60.1 t -56.65 -64.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 74.0 111.074 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.12 -25.33 63.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.729 . . . . 73.42 110.935 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t0 61.59 45.77 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 73.11 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 t -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 71.11 110.838 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -81.49 -33.46 31.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.25 110.956 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.48 85.41 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.004 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.14 153.63 53.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 73.25 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.23 109.05 2.63 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.563 2.175 . . . . 75.42 112.489 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.5 ptp -156.37 168.52 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 22.2 t -145.57 153.82 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.21 111.327 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 tp -115.75 116.57 28.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.904 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.4 t -113.21 146.28 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.14 111.24 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.28 85.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.861 -0.685 . . . . 75.55 112.381 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.29 175.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 74.44 111.037 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 tttt 60.48 47.93 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 74.25 111.042 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.4 t -105.94 19.71 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 63.24 111.267 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.97 -15.11 11.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.535 -0.302 . . . . 72.45 111.752 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.02 170.57 10.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 73.15 111.101 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.77 50.67 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.162 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -148.12 72.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.012 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.12 106.89 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.785 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -83.58 -48.57 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 72.25 110.615 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.15 95.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 74.44 110.778 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.94 157.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.178 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.11 -39.5 86.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 52.21 111.028 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -53.01 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 75.12 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.12 -45.11 71.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 71.2 111.091 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.92 -33.27 68.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 72.4 111.158 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -42.78 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.925 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.67 -35.77 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.946 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.28 -51.37 17.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.56 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.092 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -28.7 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -73.31 -37.54 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 53.02 110.755 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -76.28 -22.16 55.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 75.1 111.021 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.59 61.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 61.22 112.508 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 pt -110.92 156.86 40.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 74.33 111.373 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.35 153.93 61.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.541 2.161 . . . . 74.23 112.41 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -123.63 104.29 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.704 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.1 mp -104.33 150.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.084 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.51 129.92 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.736 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -143.89 -177.37 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.25 111.047 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -144.78 124.8 13.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 62.02 110.738 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.82 -14.49 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 72.45 111.514 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.31 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 73.42 111.373 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t -111.87 -24.64 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 73.42 111.288 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 72.22 45.62 0.37 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 73.13 110.673 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.18 117.2 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.02 111.232 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.25 11.22 58.69 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.999 -0.62 . . . . 70.14 113.338 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.57 -36.53 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.924 0.362 . . . . 73.4 111.216 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.4 mt-10 -72.77 -32.83 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 60.53 110.915 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -52.63 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -51.1 -52.36 44.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.414 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 23' ' ' LEU . 26.0 m-85 -59.24 -51.25 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.6 m-85 -55.25 -32.0 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.967 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.5 m -58.71 -44.37 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 64.25 110.979 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.68 -41.32 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.058 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.69 -43.68 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 72.13 111.086 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -70.55 -27.08 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.7 -48.04 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.11 111.125 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.01 -38.87 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.357 -0.383 . . . . 74.5 111.202 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.9 41.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.3 -29.49 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 72.5 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.263 -0.875 . . . . 75.02 110.857 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.896 " H3'" ' O2A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.339 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.988 0.423 . . . . 74.02 111.346 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 146.66 37.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.804 -0.635 . . . . 73.41 110.842 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.12 118.92 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.736 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.34 117.35 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.162 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -84.48 106.92 16.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 74.41 110.747 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -96.62 95.29 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 74.14 110.869 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.54 108.24 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.112 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.35 140.12 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.92 -177.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 70.43 111.062 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 129.84 157.61 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 33.31 112.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.83 151.15 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 73.54 111.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.75 -24.55 13.17 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.807 -0.711 . . . . 53.4 112.733 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.04 65.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.652 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.8 16.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.621 0.248 . . . . 73.23 111.462 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.36 25.71 34.62 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.726 -0.749 . . . . 63.34 112.675 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -44.86 91.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 74.34 110.838 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -69.22 -25.26 64.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.1 111.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.32 -50.76 70.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 72.54 111.326 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.13 -34.58 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.52 110.962 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.64 -56.3 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 64.44 111.188 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.79 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.291 -0.413 . . . . 73.53 110.783 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.45 -50.81 57.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.857 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.24 -52.07 56.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 64.52 110.822 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.19 -56.43 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -105.8 -129.4 0.27 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.163 -0.471 . . . . 64.15 110.152 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.45 39.86 0.0 OUTLIER 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.081 -0.387 . . . . 62.44 110.846 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 12.2 p80 -126.24 -8.63 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 74.31 111.681 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 17.4 t80 75.47 140.61 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.753 0.311 . . . . 72.03 110.668 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.2 153.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 72.44 111.303 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -179.37 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.813 -0.631 . . . . 73.13 110.724 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -153.88 123.6 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.11 110.807 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -144.96 152.16 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.757 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.1 126.35 85.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.51 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.87 -19.74 15.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.502 2.135 . . . . 72.44 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.2 m -58.83 -29.54 66.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 74.12 111.078 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.06 179.29 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.459 . . . . 71.03 111.429 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -92.79 14.14 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 73.3 111.608 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 59.9 m-20 56.87 25.0 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 61.54 111.442 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -93.98 149.47 21.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.397 . . . . 64.11 110.993 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -145.04 174.4 11.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.736 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -146.3 132.07 19.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.15 110.836 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.35 110.898 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -104.24 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.727 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.17 177.69 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.264 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.76 101.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.33 111.001 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.3 mt -115.33 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.12 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 60.69 34.04 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.852 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.03 28.24 68.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.508 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.97 114.29 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 73.14 110.938 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -62.31 122.47 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.9 m -145.25 150.8 37.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.81 147.83 27.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 75.32 110.869 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -124.0 95.55 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 73.14 110.758 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 96.63 9.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.921 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.7 mm -89.68 108.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 74.4 111.055 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.51 130.59 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.508 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -115.32 105.41 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 61.14 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 p -75.49 -174.44 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.762 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.19 162.76 30.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.176 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.52 9.56 73.87 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.331 -0.938 . . . . 62.24 112.78 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' O ' ' CE1' ' A' ' 64' ' ' TYR . 10.4 pt20 -144.14 -49.83 0.29 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.777 0.322 . . . . 71.32 110.972 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.4 149.93 28.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 71.11 111.0 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 49.78 75.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 75.53 111.135 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -177.54 -167.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.047 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER 44.68 -89.65 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.928 -0.578 . . . . 62.32 111.477 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -54.77 -45.43 74.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 72.1 110.93 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.813 ' HE3' ' H4 ' ' A' ' 203' ' ' KOB . 63.6 mtp -83.54 -21.99 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.893 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -50.82 -37.86 45.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.829 0.347 . . . . 74.04 110.499 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -33.81 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 71.25 110.296 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.59 ' HG2' ' N6 ' ' A' ' 203' ' ' KOB . 4.1 tp60 -69.82 -41.29 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 75.23 110.36 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -58.57 -39.1 79.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.2 mtt -63.5 -37.03 85.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.335 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -81.17 -10.15 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.754 -0.657 . . . . 75.52 111.052 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.7 p -102.07 -20.62 14.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.433 -0.349 . . . . 64.4 110.957 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -103.7 169.18 17.89 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.607 -0.806 . . . . 54.24 113.025 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.04 -15.18 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.7 0.286 . . . . 71.5 111.1 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.69 -176.86 19.06 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.768 -0.729 . . . . 61.32 112.356 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' CE1' HG22 ' A' ' 100' ' ' ILE . 57.4 m-85 -154.65 140.7 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 73.13 110.993 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.61 127.27 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 75.1 110.865 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 m -97.71 113.71 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.91 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.09 117.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.89 153.79 45.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.522 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.72 123.62 41.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 62.51 111.086 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 pt -60.35 -21.83 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.14 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.3 -31.36 26.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 75.23 110.792 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.97 111.79 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.956 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -72.45 -28.5 62.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.858 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -61.64 -40.09 93.65 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.596 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.6 m -61.38 -31.35 71.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.776 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CD2' HG13 ' A' ' 125' ' ' VAL . 9.6 t80 -60.47 -52.87 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.828 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.17 -28.07 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.929 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -71.69 -32.35 67.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 75.24 110.834 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.3 mm -60.65 -30.93 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.76 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.24 -55.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.936 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -66.45 -30.12 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.32 111.064 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.428 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -59.4 -44.71 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 72.24 110.874 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.15 -33.58 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.54 -32.71 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.952 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -39.93 81.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 78' ' ' PHE . 53.7 mt -65.85 -46.66 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.023 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -32.98 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.978 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -58.63 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.822 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.8 t -63.78 -53.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.019 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.964 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.3 t70 63.84 44.93 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 43.41 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -164.31 151.9 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.52 -37.11 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.03 89.79 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.35 153.31 50.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.53 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.04 109.25 2.51 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.583 2.189 . . . . 60.3 112.342 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.5 ptp -158.5 169.08 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.947 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.3 t -145.23 149.96 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.165 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.9 tp -109.08 108.95 19.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.778 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 t -100.12 143.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.249 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.77 85.42 0.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.828 -0.701 . . . . 52.52 112.374 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -61.61 168.62 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 65.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.433 ' HE3' ' N7 ' ' A' ' 201' ' ' GNP . 0.0 OUTLIER 60.98 61.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 70.34 111.005 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.2 t -101.85 3.62 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 63.15 111.365 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -110.59 -18.6 13.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.663 0.268 . . . . 73.52 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.71 175.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 74.41 111.096 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.47 23.65 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 62.54 111.402 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.84 60.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 74.33 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -84.26 144.11 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.989 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -111.35 -47.19 3.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.54 110.78 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 90' ' ' PHE . 44.0 t -94.54 106.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.31 163.41 15.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 64.5 110.921 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 m -59.35 -30.3 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.056 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -56.46 -48.7 76.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 75.11 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.417 ' HB2' HG11 ' A' ' 125' ' ' VAL . 3.8 mt-30 -59.41 -42.95 92.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.24 111.069 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.51 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 72.44 111.255 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -36.92 82.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 70.43 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.0 tp -74.37 -51.47 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.98 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.18 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.31 111.23 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.985 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -72.84 -39.15 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.627 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -70.65 -23.32 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 74.54 110.943 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.75 16.54 63.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 62.54 112.566 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.8 pt -110.79 156.8 40.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 73.23 111.476 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.54 156.35 58.07 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.609 2.206 . . . . 75.3 112.274 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -127.78 118.29 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.04 110.936 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.9 150.94 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 75.1 111.022 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -118.04 128.86 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.43 110.625 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.1 p -138.31 174.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 73.01 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 124.75 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 74.52 110.776 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.417 ' HB3' ' O6 ' ' A' ' 201' ' ' GNP . . . -77.06 -8.67 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 74.21 111.491 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -97.36 -54.7 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 73.4 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -85.92 -21.58 27.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 75.51 111.284 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.79 66.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.401 . . . . 72.33 110.659 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.65 103.38 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.074 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.13 16.49 79.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.797 -0.716 . . . . 75.25 112.974 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.15 -54.17 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 120.827 0.346 . . . . 63.33 111.129 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.4 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 3.7 mt-10 -62.65 -30.15 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.07 -54.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.957 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -50.12 -39.8 44.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 73.03 111.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -72.75 -46.73 51.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.71 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 m-85 -57.7 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 71.13 111.045 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 85.9 m -59.68 -44.02 93.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 21.4 tp -66.44 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 65.01 111.125 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 44.8 t -56.59 -39.7 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 61.1 111.101 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -72.17 -29.1 63.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.804 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.53 -50.81 23.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.967 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.54 -37.22 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.284 -0.416 . . . . 72.24 111.168 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.794 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -78.15 -29.26 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.849 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.252 -0.88 . . . . 73.33 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.433 ' N7 ' ' HE3' ' A' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.259 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.955 0.407 . . . . 74.22 111.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.94 143.02 57.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 74.43 110.784 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.49 123.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 73.25 110.677 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -110.33 139.21 45.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 72.2 111.075 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 99.26 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 72.23 110.688 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.12 97.87 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.777 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.18 137.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 74.12 111.038 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.22 146.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 73.34 111.417 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.66 164.93 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 71.41 110.708 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.73 162.28 30.3 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.496 -0.859 . . . . 62.42 112.733 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.21 22.23 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 74.25 111.197 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.34 66.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 73.42 112.754 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.7 40.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.556 -0.831 . . . . 75.1 112.81 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.72 -7.06 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.825 0.306 . . . . 74.32 111.825 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' HA2' ' O2A' ' A' ' 201' ' ' GNP . . . 69.18 40.48 82.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 74.02 112.549 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -31.07 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 73.45 110.889 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -69.17 -31.32 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.711 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.44 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.146 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.47 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.118 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.409 ' CG2' ' CG2' ' A' ' 55' ' ' ILE . 86.2 m -66.92 -54.06 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 61.41 111.071 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG21 ' CE1' ' A' ' 27' ' ' HIS . 84.2 mt -59.37 -27.45 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.237 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.2 -42.79 91.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 72.22 110.77 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 tp -73.65 -21.41 60.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 75.41 111.186 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 mm -84.53 -70.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 111.931 0.345 . . . . 70.23 111.931 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -105.7 -17.05 14.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.579 -0.282 . . . . 75.3 111.597 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 68.25 35.5 3.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 71.02 110.882 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CE1' HG21 ' A' ' 21' ' ' ILE . 4.1 p-80 -126.23 144.55 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.723 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.04 144.41 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 75.31 111.242 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -150.15 135.66 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 64.53 110.709 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.37 -56.33 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.801 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 171.05 71.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.768 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.31 142.87 47.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.925 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.02 116.12 6.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.1 110.809 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.15 -25.91 8.17 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.505 2.137 . . . . 55.12 112.263 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -176.06 39.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 62.41 110.769 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -137.19 162.04 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 65.32 111.195 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -100.37 35.86 2.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 73.54 111.081 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.77 22.1 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.252 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -113.4 147.97 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 73.51 110.782 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -148.01 164.17 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 71.15 110.922 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -147.6 159.49 43.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.892 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -158.16 147.1 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.86 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.21 123.67 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.856 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 m -134.89 -178.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 74.01 111.126 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.9 t -121.11 100.8 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.078 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.6 mt -116.39 136.85 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 73.3 111.026 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.85 33.09 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 70.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.6 28.46 67.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 54.12 112.45 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -141.89 113.97 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 71.34 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.9 m -62.35 120.42 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.837 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.2 m -143.93 147.34 33.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.791 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.88 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.923 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 60.7 mt -125.41 93.83 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.04 110.834 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 98.84 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.784 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 20' ' ' THR . 16.6 mm -77.04 110.77 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.04 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 71' ' ' TYR . 3.1 tm? -89.45 111.95 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.093 -0.503 . . . . 75.14 111.021 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.78 106.31 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.858 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -76.14 -173.76 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 156.77 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 62.4 111.052 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.54 -78.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 71.42 112.531 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.94 114.09 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 71.53 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.11 150.93 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.783 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.77 111.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.34 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 0.8 OUTLIER -176.81 37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.4 110.897 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 p -59.1 -31.58 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.39 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.88 67.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 72.22 110.544 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.475 ' SD ' ' N6 ' ' A' ' 203' ' ' KOB . 3.1 mmt -84.05 -45.99 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.739 -0.664 . . . . 70.12 110.385 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.687 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.04 -29.39 70.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 74.13 110.481 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 6.8 tp60 -74.61 -49.48 21.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 72.13 110.709 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.837 ' CE1' ' HD1' ' A' ' 203' ' ' KOB . 97.6 m-85 -50.94 -35.09 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.905 0.383 . . . . 74.21 110.791 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 mtt -73.85 -43.38 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 74.45 110.466 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -75.5 -16.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.965 -0.561 . . . . 75.22 111.038 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.3 p -101.31 -8.74 21.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.882 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.86 166.0 14.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.767 . . . . 61.14 112.661 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.8 -12.46 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.654 0.264 . . . . 75.31 111.146 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.6 -178.68 26.59 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.774 -0.727 . . . . 72.34 112.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -153.1 142.83 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 75.0 111.231 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.01 129.73 55.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.733 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 76.6 m -103.57 112.62 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 51.14 110.897 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.18 106.3 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.54 111.032 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.7 151.63 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.484 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.77 42.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.325 -0.398 . . . . 71.13 111.162 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pt -67.81 -13.48 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.34 111.215 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -28.6 14.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.414 -0.357 . . . . 75.34 110.54 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.81 107.29 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.22 110.83 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -64.43 -25.62 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.34 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -65.49 -45.26 84.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 73.41 111.094 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.8 p -57.03 -44.73 83.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 74.43 111.02 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.418 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 19.7 t80 -59.48 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.878 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.85 -30.96 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -72.23 -31.34 65.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 65.42 110.83 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.51 -28.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 72.53 110.687 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -72.27 -55.36 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.806 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.31 -29.02 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.069 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -64.23 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.394 . . . . 74.5 110.96 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -33.63 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 75.51 110.717 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.21 -29.77 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.015 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -43.56 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.787 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.13 -51.7 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.954 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.72 -37.4 63.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 73.25 111.287 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -64.1 -56.24 16.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 75.05 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.92 -52.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 74.51 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -65.22 -26.1 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.74 44.13 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 61.5 110.81 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -169.2 141.32 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 75.21 110.809 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.27 -28.02 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.031 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.28 84.58 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 74.13 111.217 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.5 m -112.09 151.65 43.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.921 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.26 101.1 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.45 2.1 . . . . 74.1 112.294 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 ptp -150.58 169.01 22.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 74.51 111.076 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.0 t -142.13 149.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.062 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.2 tp -111.14 115.33 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.866 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.4 t -104.4 160.55 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 73.4 111.195 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.52 80.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.803 -0.713 . . . . 73.02 112.498 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.17 171.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 72.22 111.002 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 62.48 62.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 72.0 111.013 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.87 -22.52 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.264 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.66 -70.99 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.859 0.361 . . . . 71.14 111.168 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -48.19 172.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 75.34 111.354 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.34 47.21 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.23 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.47 71.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.2 111.059 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -99.98 145.94 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.943 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.6 p -108.08 -48.79 3.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.04 110.639 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.56 104.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 74.12 110.913 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.85 161.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.067 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.39 -37.18 86.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.908 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -56.85 -49.01 76.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.898 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.02 -44.1 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.01 110.923 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -66.07 -36.3 82.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 73.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -30.94 59.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.44 110.774 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -59.55 -34.92 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 73.13 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.3 tp -81.17 -51.38 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.886 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.27 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.54 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.16 -31.78 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.826 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -73.0 -37.97 66.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.612 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -70.86 -24.78 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.971 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.86 62.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 44.01 112.48 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.0 pt -111.7 157.23 40.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 73.45 111.335 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.78 155.64 65.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.578 2.185 . . . . 75.43 112.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -127.09 124.43 39.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.975 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.15 164.36 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.986 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -132.2 138.9 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.716 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.6 p -146.12 -178.51 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 71.34 111.201 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -146.36 122.15 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 64.03 110.791 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.37 -8.37 56.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 75.34 111.595 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -92.16 -48.06 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.83 0.348 . . . . 74.43 110.982 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 p -95.28 -17.42 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 54.35 111.19 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 64.23 60.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 73.41 110.779 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -110.86 123.09 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.545 . . . . 74.32 110.851 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.72 18.25 45.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 74.32 112.834 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.07 -53.58 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 CA-C-O 120.857 0.361 . . . . 75.41 111.14 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 26.7 mt-10 -63.01 -27.35 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.847 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -55.97 -48.02 76.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 65.42 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 61.45 111.148 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -72.85 -50.16 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.074 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.1 m-85 -56.11 -39.84 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.929 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 45.3 m -61.08 -35.28 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.581 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.81 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 73.44 110.602 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.41 -52.6 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.004 -0.544 . . . . 73.3 111.039 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -28.36 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -73.12 -55.46 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 65.25 111.011 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.25 -38.16 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.365 -0.38 . . . . 74.24 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -52.59 -45.16 66.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 72.51 111.025 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -59.75 -44.76 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.222 -0.894 . . . . 63.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.451 ' O3G' ' O1B' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.351 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.801 0.334 . . . . 64.42 111.17 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.09 149.77 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 65.22 110.692 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.66 117.89 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.863 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.41 105.46 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.033 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.91 99.18 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.65 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.98 101.6 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 62.05 111.146 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.6 t -88.11 109.06 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.73 139.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 71.12 111.051 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -137.26 148.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.041 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.76 174.16 37.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 70.04 112.709 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.04 156.96 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.862 0.363 . . . . 73.05 111.164 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.0 106.1 1.02 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 41.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.58 -20.21 7.39 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.768 -0.73 . . . . 70.02 112.625 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -54.14 -25.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 71.42 111.334 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.69 25.98 28.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 74.42 112.465 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -62.04 -34.98 77.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 71.02 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' H2 ' ' A' ' 303' ' ' HOH . 3.4 p -72.59 -32.7 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -55.41 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.31 111.125 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.8 mt -57.17 -29.97 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.057 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.048 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG22 ' CE1' ' A' ' 27' ' ' HIS . 37.9 mm -53.53 -30.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 74.11 111.282 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -60.79 -49.35 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.913 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.62 -9.0 58.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 72.34 111.462 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.34 -72.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.726 0.298 . . . . 63.25 111.255 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.07 -10.72 17.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 65.01 111.514 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.39 69.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.882 0.372 . . . . 71.44 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' HG22 ' A' ' 21' ' ' ILE . 11.8 p80 -177.06 151.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 74.31 110.704 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 2.9 t80 -59.97 141.1 56.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 74.11 110.74 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.9 t -55.25 108.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.019 0.438 . . . . 75.23 111.201 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.18 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.756 -0.656 . . . . 71.13 111.242 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.32 89.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.925 -0.58 . . . . 73.31 110.796 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -136.81 168.66 19.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.915 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -86.18 111.27 37.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 75.1 110.922 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.63 -12.87 20.28 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.55 2.167 . . . . 65.21 112.568 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -55.82 -61.74 2.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.978 0.418 . . . . 74.33 111.101 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -179.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 74.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.01 173.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 70.44 110.995 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -91.86 47.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.3 111.055 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -99.56 152.49 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.03 110.705 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -147.69 160.74 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.945 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -141.1 154.73 46.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.72 148.42 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.956 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -103.55 118.72 37.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.783 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.58 -178.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 64.23 111.162 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.96 102.54 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 46' ' ' ILE . 34.2 mt -111.93 135.71 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.926 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.32 17.66 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.259 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.73 -18.99 51.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.632 -0.794 . . . . 74.41 112.988 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.32 150.81 24.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 75.14 111.016 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -78.1 129.57 35.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.747 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.1 m -144.08 149.6 36.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.1 154.33 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.633 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -134.31 86.13 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 73.1 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.6 96.76 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.86 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.0 mm -86.56 109.18 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.177 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.856 ' CD1' ' HE2' ' A' ' 203' ' ' KOB . 0.2 OUTLIER -88.18 133.5 34.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 61.13 110.596 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 104.86 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.25 110.751 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 p -74.91 -173.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.06 162.55 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 72.14 111.306 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.16 22.12 42.53 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.46 -0.876 . . . . 63.31 112.473 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -157.53 -47.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.53 110.454 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -110.12 143.58 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.011 -0.54 . . . . 72.33 110.54 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 48.99 75.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.03 110.896 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -170.93 -178.37 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.029 -0.532 . . . . 74.43 110.751 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 50.52 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 74.43 111.032 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -58.75 -41.77 87.33 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.943 0.401 . . . . 73.41 110.606 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.57 ' HG2' ' O3B' ' A' ' 203' ' ' KOB . 66.5 mtp -83.99 -27.23 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 72.53 110.68 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -52.1 -50.23 62.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.115 -0.493 . . . . 63.23 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -30.95 12.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.93 0.395 . . . . 74.32 110.953 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.45 ' HG2' ' O3A' ' A' ' 203' ' ' KOB . 22.7 tp60 -69.43 -47.48 63.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.019 -0.537 . . . . 73.3 110.577 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CZ ' ' HD2' ' A' ' 203' ' ' KOB . 10.8 m-30 -59.19 -21.88 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.972 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.63 -42.03 61.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.329 -0.396 . . . . 75.44 110.622 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -76.4 -17.04 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 75.42 111.12 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.1 p -101.01 -15.44 17.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.301 . . . . 72.22 111.029 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -94.41 162.73 24.76 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.695 -0.764 . . . . 71.45 112.808 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 1.1 mt-10 -102.97 -16.26 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.512 0.196 . . . . 72.11 111.219 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.73 -169.94 17.88 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.715 -0.755 . . . . 71.34 112.458 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -153.89 137.86 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 71.12 111.137 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.14 123.0 40.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.684 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.8 m -96.02 119.86 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.989 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.1 t -112.36 116.93 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.981 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -134.78 146.06 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 74.32 110.907 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.73 123.89 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.984 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 pt -58.03 -27.46 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.231 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -75.08 -25.41 58.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 74.43 111.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -106.59 113.68 27.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 71.21 110.985 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.5 m -72.45 -26.6 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.23 111.098 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.334 -0.394 . . . . 72.21 110.693 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 m -60.29 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.767 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.48 -29.02 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 70.42 110.849 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.58 -41.44 72.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.999 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 8.0 m-20 -60.47 -34.52 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 65.22 110.949 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.89 -25.9 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.111 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -77.54 -55.45 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 72.2 110.831 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -64.42 -30.6 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.3 111.086 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 4.5 m-85 -59.88 -39.51 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 75.1 110.78 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -37.64 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 74.34 110.772 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.93 -38.65 83.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 71.11 111.065 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.29 -44.55 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.023 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.07 -48.37 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.105 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -35.61 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 75.02 111.115 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -58.86 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 75.14 110.662 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.45 -64.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.178 0.513 . . . . 75.45 110.968 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -58.74 -26.54 64.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 75.32 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.47 53.57 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 74.42 110.739 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.85 141.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.543 . . . . 65.31 110.884 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.47 -31.38 62.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.751 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -84.9 95.43 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 52.14 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 50.6 t -133.16 136.55 27.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.726 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 59.7 Cg_endo -72.93 100.97 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.871 2.381 . . . . 70.52 112.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.26 162.03 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.14 110.921 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -142.96 146.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 75.22 111.208 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 tp -107.49 113.54 26.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 75.23 110.741 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 16.3 t -100.67 146.57 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.249 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.69 91.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 62.51 112.428 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.78 155.79 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 74.14 111.053 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.2 mttt 59.8 75.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 75.25 111.048 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.0 t -99.25 -20.78 16.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 62.45 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.94 -23.72 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.446 -0.343 . . . . 73.22 111.271 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.67 139.94 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 75.13 111.175 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.72 26.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.245 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.64 69.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 73.54 110.866 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.2 114.51 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 74.45 110.837 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.4 p -88.46 -49.8 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.651 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.8 t -87.59 96.43 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 75.14 110.842 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -54.33 157.25 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.43 111.048 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.9 m -57.68 -29.39 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.53 111.044 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -58.32 -47.9 82.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 64.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -41.1 88.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.29 72.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.02 111.115 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -40.82 27.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 63.15 110.847 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.23 -33.41 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.15 110.829 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.34 -51.42 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.21 110.848 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.54 84.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.52 111.081 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -58.0 -30.26 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.888 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -73.3 -36.7 66.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.734 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -74.11 -21.72 59.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.048 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.97 61.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 65.11 112.397 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.4 pt -110.0 156.94 39.14 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.293 . . . . 75.43 111.373 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.84 159.69 51.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 72.33 112.418 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -134.19 118.13 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.809 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.71 150.62 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.896 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.06 131.17 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 75.02 110.86 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.4 p -138.77 159.54 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.51 111.153 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 p -131.09 120.96 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 60.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.66 60.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 64.55 111.483 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -92.55 -50.65 5.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 73.35 111.294 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 p -88.25 -21.17 24.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 72.13 111.363 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.73 69.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.987 0.422 . . . . 73.53 110.55 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -125.33 116.09 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 75.44 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 66.59 14.24 62.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 72.31 112.836 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 36.2 t -52.37 -55.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 75.04 111.202 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 60.5 mt-10 -66.93 -26.8 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 71.41 110.914 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.05 -51.63 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 75.2 110.97 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.56 82.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.095 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.11 -49.83 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.871 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.1 -31.01 60.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.827 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.9 m -57.17 -40.45 77.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.854 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -48.05 79.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.696 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 33.4 t -52.71 -38.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.114 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -33.18 67.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 74.14 110.858 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -68.21 -44.4 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.81 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.31 -45.65 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.017 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -60.26 -34.75 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 72.41 110.8 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -97.46 25.89 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.35 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.235 -0.888 . . . . 70.42 110.978 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.48 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.376 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.538 ' H2 ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.886 0.374 . . . . 70.12 111.299 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -97.33 140.44 31.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.56 . . . . 62.2 110.841 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.18 141.53 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 65.33 110.637 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' HG23 ' A' ' 2' ' ' THR . 20.5 m-85 -135.34 148.1 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 71.54 111.12 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -115.4 117.0 29.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 70.34 110.801 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 2.0 mm? -112.87 95.13 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 72.21 110.874 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 92.3 t -84.55 102.22 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.98 138.55 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 74.31 111.044 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.36 150.21 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 75.41 111.011 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.94 176.31 30.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.469 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.79 161.82 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 51.05 111.092 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.19 -19.54 61.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.785 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.61 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 73.1 112.752 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -115.48 -34.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 74.42 111.389 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.49 23.82 8.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 70.0 112.483 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -43.53 98.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 74.42 110.949 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 p -66.82 -32.82 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 62.31 110.823 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.75 71.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.875 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.53 -28.6 69.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.856 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -58.75 -55.76 30.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -30.14 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.269 -0.423 . . . . 64.41 110.772 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -62.76 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 72.14 110.753 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -7.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.31 111.317 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.4 mm -105.84 -70.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 72.43 111.204 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.09 -19.67 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.406 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 65.41 75.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 72.24 111.072 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.71 163.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.685 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -68.74 134.92 50.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 70.34 110.784 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 32' ' ' TYR . 2.4 t -57.56 126.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 74.02 110.8 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 175.71 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.761 -0.654 . . . . 64.42 110.626 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -109.83 -18.48 13.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.281 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' CE1' HG11 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -53.25 144.05 17.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 75.32 110.914 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.15 116.37 8.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 70.44 111.133 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -18.58 15.48 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.522 2.148 . . . . 75.4 112.423 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -74.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 74.25 111.04 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.38 158.25 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 75.41 111.305 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 177.88 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 64.2 110.99 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HB2' ' S7 ' ' A' ' 203' ' ' KOB . 10.1 p-10 -46.74 -28.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 71.2 111.376 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -158.78 152.68 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 75.43 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -131.77 168.42 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.765 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -146.2 143.63 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -151.91 147.59 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.986 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.8 117.79 33.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.519 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 m -138.94 -178.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.372 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.41 103.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.989 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -88.4 111.55 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 74.32 111.115 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 59.28 40.86 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.5 22.5 77.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 74.33 112.633 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -130.35 107.12 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 75.51 110.806 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -60.0 122.78 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 73.05 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.7 m -145.95 145.15 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 53.23 110.704 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 143.43 36.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.812 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.0 mt -122.41 108.87 13.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.665 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 93.37 6.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.027 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.9 mm -78.08 113.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.734 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 2.5 tp -88.41 119.03 28.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.866 -0.607 . . . . 71.2 111.006 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -110.13 108.2 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 75.35 110.773 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -98.38 -173.76 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.15 110.809 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 112.51 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 64.21 111.098 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.12 76.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 63.33 112.624 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.91 -76.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 72.11 110.976 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.33 -164.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 74.4 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 72.39 -179.21 0.21 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 75.14 111.091 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER 60.29 27.14 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 74.45 110.932 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 p -60.78 -30.7 70.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.997 0.427 . . . . 64.41 110.422 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.43 -56.7 16.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.839 -0.619 . . . . 61.4 110.779 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.673 ' HB3' ' HAB' ' A' ' 203' ' ' KOB . 4.9 mtp -83.44 -21.6 32.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 63.32 110.996 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -49.27 -31.08 8.23 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.051 0.453 . . . . 75.14 110.322 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -33.63 67.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.811 -0.631 . . . . 73.2 110.184 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' HB3' ' O ' ' A' ' 67' ' ' MET . 4.0 tp60 -57.45 -48.48 79.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.778 -0.646 . . . . 75.43 110.243 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.542 ' HE1' ' C8 ' ' A' ' 203' ' ' KOB . 23.5 m-85 -51.67 -33.75 35.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 75.24 111.486 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.3 mtt -73.63 -39.19 64.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.055 0.455 . . . . 74.02 110.151 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -81.12 -15.39 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 74.24 111.402 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 70' ' ' GLN . 80.5 p -100.24 -15.36 18.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 75.52 111.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -100.0 159.23 19.54 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.586 -0.816 . . . . 61.03 113.441 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -105.97 -13.42 15.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 74.14 110.828 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.96 170.02 31.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.887 -0.673 . . . . 70.41 112.089 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' CD2' HG21 ' A' ' 100' ' ' ILE . 69.5 m-85 -138.39 140.6 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 73.3 111.283 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.4 121.16 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 65.51 110.756 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 m -97.99 115.98 29.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.44 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.31 122.05 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.056 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -136.04 141.92 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.823 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.25 123.78 32.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 73.35 111.044 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.5 pt -56.34 -31.58 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.13 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.9 -24.47 65.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 75.2 111.012 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -113.22 103.49 11.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.389 . . . . 72.1 110.886 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.9 m -64.5 -23.59 67.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.027 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -44.37 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 72.15 110.743 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 m -56.96 -36.75 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 51.02 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.93 -29.06 69.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.877 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.0 -31.55 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.3 m-20 -72.23 -31.48 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.1 mm -61.34 -28.35 43.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.23 110.969 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -73.18 -55.44 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.14 -28.69 68.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.079 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -58.35 -42.23 86.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 74.23 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -65.22 -34.05 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 75.41 110.741 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.2 -45.26 91.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.68 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -40.2 95.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 71.43 110.583 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 78' ' ' PHE . 83.5 mt -62.08 -53.18 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 71.54 111.06 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.79 -35.6 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.228 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -61.4 -59.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 74.13 111.024 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.69 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' CB ' HG12 ' A' ' 109' ' ' VAL . 5.0 mmmt -59.18 -28.06 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 73.31 111.019 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t0 62.44 50.97 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.706 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.43 140.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 74.31 110.811 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -75.19 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.11 111.0 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -90.55 89.38 7.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.126 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.421 HG12 ' CB ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -121.65 152.79 59.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 62.42 110.947 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.93 108.48 2.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.646 2.23 . . . . 64.32 112.524 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.92 165.96 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.724 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.2 151.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.348 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.5 tp -111.86 114.01 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 71.14 110.926 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 15.8 t -102.17 144.46 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.03 111.136 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 84.84 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 74.31 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.38 169.44 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 75.31 110.922 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.0 mttt 61.08 51.71 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.972 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 t -87.19 -13.51 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.23 111.286 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -91.05 -18.05 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.507 -0.315 . . . . 73.22 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.46 158.78 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 72.52 111.24 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.24 41.3 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.149 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.71 56.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 55.32 111.037 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.422 ' HB3' ' CD1' ' A' ' 84' ' ' ILE . 2.2 ptm180 -68.78 126.25 29.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.041 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.6 p -94.04 -26.18 16.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.583 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.4 t -119.06 98.67 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.907 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.68 161.09 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 74.51 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.2 p -56.57 -29.93 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 64.31 110.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -59.82 -46.33 89.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.797 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.37 -36.85 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.84 56.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 62.44 111.162 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -33.27 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.943 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.4 -36.18 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.415 HD13 ' CZ ' ' A' ' 137' ' ' TYR . 27.9 tp -78.25 -51.53 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.0 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.13 111.113 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -64.73 -23.52 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.54 111.086 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.4 t -77.97 -41.39 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 61.01 110.715 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.483 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -74.75 -19.93 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 74.34 111.012 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.96 17.63 62.8 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.714 -0.755 . . . . 71.41 112.416 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.483 HG12 ' HB2' ' A' ' 137' ' ' TYR . 7.5 pt -107.71 156.83 37.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 71.11 111.485 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.02 154.28 52.65 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 75.3 112.305 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -126.36 118.4 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.0 mp -117.88 157.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.028 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.56 131.39 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.2 p -141.65 179.4 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 73.41 110.989 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -147.14 117.94 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.838 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.55 -22.65 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -83.41 -61.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 75.21 111.142 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -19.66 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.4 111.364 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.85 63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 74.21 110.657 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -114.23 120.38 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 55.85 28.06 51.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.803 -0.713 . . . . 73.04 112.677 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.3 t -57.46 -55.87 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.33 111.06 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.5 mt-10 -66.82 -28.29 68.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.829 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -34.01 63.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.65 -40.08 56.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.913 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -68.76 -50.47 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.82 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.6 m-85 -54.68 -33.45 60.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 71.11 111.064 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.8 m -58.44 -34.62 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.905 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 23.8 tp -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.789 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.73 -48.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 75.01 110.952 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -66.4 -28.99 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.801 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.56 -54.85 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.783 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.15 -52.03 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.303 -0.408 . . . . 71.3 111.048 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -48.1 -33.85 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.989 -0.55 . . . . 73.15 110.981 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -31.98 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.839 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.215 -0.898 . . . . 72.44 110.873 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.572 ' O1G' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.301 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.572 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.405 ' O ' HG22 ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.116 0.484 . . . . 75.41 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.06 148.48 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.643 -0.708 . . . . 74.35 110.542 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.49 118.33 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.926 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -108.03 123.92 49.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 70.54 110.929 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -101.25 119.47 38.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.781 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.8 mt -113.7 119.0 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.095 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' HB ' ' CD2' ' A' ' 78' ' ' PHE . 40.7 t -87.37 102.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.04 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.37 124.78 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.237 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.51 149.52 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 71.32 111.048 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 63.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 72.02 112.631 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.75 -169.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 74.53 111.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.96 43.14 1.61 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.437 ' HA2' ' O1B' ' A' ' 201' ' ' GNP . . . -177.5 36.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 50.15 112.441 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 m -110.82 -26.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 72.31 111.354 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.37 18.56 6.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 61.22 112.685 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -36.61 80.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 74.55 110.722 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -43.17 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.709 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.75 80.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -66.03 -31.75 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.784 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 m -67.57 -52.12 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.33 -29.0 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.792 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -67.33 -42.6 83.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 64.13 110.604 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.62 -7.62 55.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 75.22 111.228 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.3 mm -111.94 -69.25 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 74.15 111.298 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -87.02 -26.39 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.2 111.385 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 70.1 68.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 73.14 110.95 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.63 153.52 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 73.42 110.717 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CZ ' " O2'" ' A' ' 201' ' ' GNP . 1.8 t80 -62.79 129.45 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 65.5 110.666 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.89 136.6 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.97 0.414 . . . . 75.42 111.072 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -179.98 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 72.12 110.795 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.45 28.16 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 71.11 111.053 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -58.39 142.86 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.399 -0.364 . . . . 75.11 110.84 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -50.95 106.39 0.64 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.103 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.98 -25.75 31.93 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.376 2.051 . . . . 72.21 112.268 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -58.51 -27.97 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.958 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.93 158.95 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 71.13 111.227 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.48 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 64.51 110.893 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -50.75 -27.73 7.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.58 . . . . 75.5 111.211 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -161.43 165.36 28.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 73.33 110.979 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -140.35 114.38 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.746 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -97.52 135.96 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.53 110.965 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -148.91 151.03 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.35 110.786 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -109.33 120.64 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.727 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.85 176.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 73.12 111.267 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.99 102.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.004 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.4 mt -127.28 138.2 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.026 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.54 29.33 15.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 71.15 110.935 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.94 27.0 67.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.4 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -145.47 105.99 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 71.14 110.851 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -55.64 129.64 39.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.8 m -146.74 156.27 43.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 61.33 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mt -84.71 145.15 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.716 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.5 mt -115.22 93.34 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.061 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -86.19 99.44 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.808 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.7 mm -91.25 110.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 63.4 111.078 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 7' ' ' VAL . 8.6 tp -79.8 120.84 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.997 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -118.58 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.704 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 10.5 p -80.48 -175.95 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.046 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.17 130.05 48.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 72.11 111.056 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.07 -24.55 71.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.68 -169.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 74.34 110.876 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.98 -177.07 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 74.32 110.988 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -124.61 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.119 0.485 . . . . 74.45 111.079 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CD1' ' HG2' ' A' ' 67' ' ' MET . 0.4 OUTLIER -94.79 40.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 74.44 110.849 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -37.69 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.785 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.01 -24.67 25.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 63.44 111.101 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.423 ' HE1' ' C6 ' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -83.92 -23.09 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.09 -179.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.27 -48.29 79.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.992 0.425 . . . . 72.03 109.944 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -30.4 64.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 73.23 110.113 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HB2' ' O3A' ' A' ' 203' ' ' KOB . 0.2 OUTLIER -79.54 -41.27 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 70.43 110.424 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 20.4 m-30 -58.47 -42.3 87.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.573 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.447 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -70.7 -37.03 73.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 75.43 110.021 179.215 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -77.38 -14.51 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 65.24 110.969 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.8 p -98.83 -21.92 16.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.318 -0.401 . . . . 74.23 110.442 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -98.49 159.15 20.44 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.757 -0.735 . . . . 61.42 113.065 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -102.16 -16.28 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 44.15 110.877 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.39 167.05 30.21 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.021 -0.609 . . . . 74.52 112.15 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.474 ' CZ ' ' HE2' ' A' ' 104' ' ' LYS . 3.1 m-85 -136.58 148.13 47.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 75.2 111.147 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.53 115.93 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.41 110.873 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 35.0 m -90.69 104.02 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.953 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.52 134.86 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 70.22 110.982 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 90' ' ' PHE . 4.5 p90 -147.64 153.8 39.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 63.22 110.791 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.67 125.21 35.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 64.4 111.132 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.5 pt -61.9 -27.6 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.236 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -71.17 -23.62 62.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.965 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -113.22 119.62 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 75.43 110.86 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.9 m -69.02 -33.59 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.91 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -56.54 -44.4 80.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 74.33 110.913 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.1 p -59.49 -37.63 78.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 23.6 t80 -68.17 -36.85 80.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -27.12 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.109 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -69.41 -37.29 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 65.41 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 24.9 mm -59.85 -27.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 74.32 111.035 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.24 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 70.42 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.12 -28.05 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.984 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -33.93 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.922 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.77 -34.19 76.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.51 110.83 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -44.55 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.814 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -68.5 -43.79 83.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.975 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -35.42 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 74.41 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -69.87 -58.93 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.2 111.182 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.8 t -56.24 -52.21 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 71.23 111.104 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HE2' ' CZ ' ' A' ' 78' ' ' PHE . 13.4 mmtm -66.38 -26.61 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.95 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t0 68.54 38.76 2.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 74.43 110.78 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -176.02 164.02 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.842 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -104.54 18.22 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 74.51 111.261 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -126.62 82.0 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 54.12 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.24 154.34 81.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.252 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.33 106.59 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.601 2.201 . . . . 74.24 112.284 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.5 ptp -149.93 171.59 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 75.45 110.94 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 t -144.07 160.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.03 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.8 tp -125.48 106.48 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.805 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.9 t -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 61.12 111.357 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.64 87.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 65.13 112.275 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.98 169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.38 . . . . 74.53 111.06 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp 61.03 59.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.962 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.8 t -102.24 4.86 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 62.5 111.352 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.93 -28.41 8.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.729 0.299 . . . . 74.11 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.52 153.68 4.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 74.33 111.094 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.84 31.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.138 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.86 79.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.2 111.068 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.74 112.26 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.714 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.7 p -86.17 -49.85 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.674 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.47 101.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.828 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 161.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.14 111.078 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 m -62.02 -40.84 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 64.32 111.045 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -55.93 -46.35 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.995 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -61.02 -41.63 96.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.14 111.009 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -71.04 -33.48 70.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 52.43 111.154 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -33.13 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.12 110.884 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.78 -45.98 85.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.449 ' CD2' ' CE1' ' A' ' 137' ' ' TYR . 1.4 tm? -69.82 -51.86 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.1 111.013 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.87 73.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.907 -0.588 . . . . 64.13 111.207 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -59.95 -29.16 68.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.02 111.039 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.0 t -77.95 -21.56 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 74.21 110.944 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.449 ' CE1' ' CD2' ' A' ' 133' ' ' LEU . 6.1 m-30 -88.65 -22.3 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.212 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.55 16.66 65.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 64.5 112.555 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 pt -112.09 157.17 40.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.74 0.305 . . . . 74.54 111.361 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.75 149.11 53.84 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 72.3 112.364 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -119.43 116.96 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 75.14 110.489 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.66 152.62 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.099 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.71 129.68 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.53 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.2 p -138.97 169.5 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.081 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.08 121.3 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.833 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.37 -6.43 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.11 111.668 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.51 -47.23 6.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 73.55 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -95.3 -14.87 23.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.418 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.38 61.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 74.12 110.65 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.35 118.62 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 63.32 110.997 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.22 13.96 58.69 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.805 -0.712 . . . . 73.13 112.958 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.25 -60.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 63.03 111.344 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -62.03 -34.39 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 65.41 110.833 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.38 -34.74 49.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.948 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.6 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 75.03 111.012 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -63.56 -51.02 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 64.4 111.008 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.64 -30.14 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.199 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.9 m -58.79 -32.77 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 75.24 111.048 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 27.9 tp -73.11 -40.94 64.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.976 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.22 -44.9 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.43 111.279 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -39.74 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 71.44 110.977 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.73 -54.84 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.42 110.973 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 46.5 mt -56.35 -42.87 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.322 -0.399 . . . . 75.01 111.159 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -56.73 -47.08 80.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.981 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.61 -44.34 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 73.51 110.841 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.226 -0.892 . . . . 71.45 110.842 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.438 " O2'" ' CZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.311 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.799 0.333 . . . . 74.43 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.45 149.8 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.693 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.12 109.32 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 71.52 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -97.06 113.45 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.95 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.05 99.92 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.819 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.48 95.15 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.71 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 t -84.23 102.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.52 111.09 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.09 112.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 63.43 111.298 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.66 -175.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 71.22 111.056 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 126.9 163.01 11.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 70.14 112.487 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.22 166.16 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.31 111.105 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' O ' ' O2G' ' A' ' 201' ' ' GNP . . . -66.51 -10.94 55.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.848 -0.691 . . . . 71.0 112.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.99 57.08 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.554 -0.831 . . . . 72.31 112.642 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -120.3 -5.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.786 0.291 . . . . 75.21 111.786 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.23 21.85 69.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 74.24 112.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.15 75.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 75.32 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -25.88 62.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.205 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.06 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 73.23 111.357 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -28.98 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.263 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.6 m -54.42 -46.84 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 72.12 111.187 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.14 -32.78 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.44 110.747 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -59.19 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.53 110.638 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -60.25 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 72.15 110.614 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.6 -60.46 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 70.32 110.999 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -104.47 -126.3 0.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.27 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 p30 174.92 44.36 0.0 OUTLIER 'General case' 0 C--O 1.23 0.073 0 O-C-N 121.97 -0.456 . . . . 75.1 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -136.41 10.13 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 62.04 111.589 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 63.35 139.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.686 0.279 . . . . 73.31 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' HB ' ' O2A' ' A' ' 201' ' ' GNP . 26.0 t -51.47 144.8 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.103 0.477 . . . . 72.42 111.222 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 25.2 t70 174.91 -36.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 72.53 110.516 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.24 71.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.935 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' HG11 ' A' ' 29' ' ' VAL . 28.0 p90 -141.08 157.13 45.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 62.55 110.79 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.37 132.94 24.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 73.25 111.009 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -15.2 35.03 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.441 2.094 . . . . 74.05 112.36 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 p -76.22 -5.52 47.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 75.25 111.487 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 pp -130.15 173.56 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.94 0.4 . . . . 70.31 111.225 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -92.33 112.73 24.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 75.02 110.992 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.19 66.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.5 p -113.23 140.69 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 74.05 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 166.12 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.12 110.737 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -147.54 129.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.915 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -124.89 147.27 48.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -95.35 120.72 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.813 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.76 176.86 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.19 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.78 102.28 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.994 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.1 mt -116.24 139.63 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.045 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.62 16.66 10.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 75.34 111.241 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.37 51.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 72.32 112.956 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -107.21 147.99 29.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 64.43 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.2 m -72.98 129.21 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 74.42 110.752 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.9 m -144.69 146.91 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.931 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.5 155.62 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 75.51 110.807 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 mt -126.56 81.55 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.029 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.26 99.89 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.681 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 mm -87.34 109.19 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.447 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -92.58 100.78 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 73.43 110.657 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.51 104.41 16.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.98 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.4 p -75.41 -174.15 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.617 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.25 157.76 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.336 -0.393 . . . . 74.44 111.229 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.13 -25.08 7.26 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.687 -0.768 . . . . 71.43 112.178 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -99.62 179.23 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 63.25 110.705 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 58.3 -174.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 73.51 110.822 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -97.0 -79.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.775 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 52.73 36.17 20.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 73.25 111.071 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.96 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.134 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.626 ' HB3' ' O3A' ' A' ' 203' ' ' KOB . 6.1 ptp -65.33 -32.73 74.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.968 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -51.05 -51.12 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.63 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 74.34 110.272 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 74' ' ' THR . 1.9 tp60 -67.83 -48.92 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 75.22 110.487 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 67' ' ' MET . 22.0 m-85 -51.53 -37.13 47.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 70.42 111.319 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 mtt -67.44 -46.48 72.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.41 -0.589 . . . . 73.51 109.41 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 103' ' ' VAL . 53.7 mtp180 -72.12 -10.14 59.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.511 -0.768 . . . . 72.11 111.195 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 45.3 p -99.02 -23.28 15.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 73.31 110.832 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -104.77 166.35 14.84 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.573 -0.822 . . . . 54.41 113.664 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.11 -13.12 13.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.352 . . . . 74.3 110.876 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.11 22.84 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.796 -0.716 . . . . 63.22 112.284 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.86 155.7 37.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 73.33 111.17 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 116.89 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.21 110.8 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 63.8 m -90.66 110.92 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 71.24 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.5 t -107.58 111.46 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.5 111.039 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.12 144.81 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.637 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.65 33.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 74.54 110.968 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 pt -61.25 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.22 111.002 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.83 -28.51 30.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.881 -0.6 . . . . 72.22 110.732 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.02 106.48 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.795 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 m -67.38 -27.4 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.075 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -62.1 -45.43 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 75.12 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -53.84 -43.96 69.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 74.01 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 20.8 t80 -59.84 -27.82 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.712 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.96 -29.83 55.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 71.32 111.073 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.23 -33.06 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 75.11 111.084 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.4 mm -60.94 -31.66 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.832 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -69.63 -55.35 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 71.31 110.722 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.67 -28.35 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 65.14 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.416 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.2 m-85 -58.54 -48.78 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.99 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -55.44 -30.71 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.126 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.71 -41.05 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 54.31 110.839 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -24.31 62.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.039 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 mm -74.99 -44.31 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 65.21 111.135 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -59.85 -32.79 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 73.44 111.179 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -59.11 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.354 . . . . 72.24 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 73' ' ' ARG . 46.7 t -62.05 -52.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 74.22 110.823 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -26.67 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 74.13 110.805 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.3 t0 62.42 50.15 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 72.14 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 176.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.71 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -79.3 81.14 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.23 111.007 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.51 144.05 32.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 72.54 110.979 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -68.76 100.93 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 70.22 112.503 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.2 ttm -134.42 173.31 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 74.2 110.935 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.3 t -146.92 153.81 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 74.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.8 tp -128.84 112.2 13.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.817 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.18 154.75 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 75.3 111.336 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.43 78.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 75.51 112.319 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -55.76 156.75 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 72.05 110.982 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.8 mttp 63.04 57.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 73.31 110.943 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 t -91.8 -22.32 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 75.42 111.068 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -77.91 -25.23 48.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.359 . . . . 74.41 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -51.21 166.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 75.01 111.04 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -121.44 27.19 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 72.3 111.338 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.56 73.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 71.43 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -90.41 139.66 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 72.33 110.893 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -110.28 -24.67 10.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 65.22 110.686 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.84 104.28 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.104 -0.498 . . . . 74.31 111.088 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.04 161.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 71.4 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.3 p -63.05 -35.65 80.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 73.33 111.053 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.48 -48.59 80.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.65 -40.91 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 64.44 111.06 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.34 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.1 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -29.22 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.13 -36.0 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 74.22 110.955 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 tp -81.15 -50.91 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.86 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.29 88.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.197 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -56.72 -41.57 77.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.3 t -75.35 -33.77 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.753 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -69.3 -24.79 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 71.13 111.037 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.19 12.66 59.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.65 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.2 pt -112.3 151.59 43.85 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 73.33 111.379 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.55 160.34 50.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.54 2.16 . . . . 61.25 112.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -124.9 118.93 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.752 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.9 160.33 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 74.21 111.031 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -120.08 133.12 55.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 72.22 110.883 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.1 p -145.54 171.37 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.4 111.109 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.18 117.18 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 74.31 110.702 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.45 -23.36 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.466 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -66.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 73.05 111.2 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.3 p -80.95 -13.91 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.574 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 62.59 57.3 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 74.34 110.613 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -108.35 130.06 55.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 74.52 110.911 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 58.14 21.38 46.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 64.31 112.814 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.8 t -57.58 -58.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 72.41 111.031 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -62.98 -31.3 72.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.769 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -54.03 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.34 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.08 83.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.003 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.71 -51.61 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.847 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.56 -25.68 60.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 72.22 111.12 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 2.0 m -57.12 -50.19 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 75.41 111.196 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 19.1 tp -59.01 -34.38 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 72.44 111.028 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.4 -50.2 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.35 . . . . 75.44 111.013 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.95 -28.74 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.881 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.8 -50.72 27.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.079 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.1 mt -60.15 -36.41 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.274 -0.421 . . . . 74.25 111.189 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -65.47 -21.64 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 75.11 111.143 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.87 26.22 4.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.824 0.345 . . . . 73.33 111.156 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.223 -0.894 . . . . 64.34 110.925 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.736 " H2'" " O5'" ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.383 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.039 0.447 . . . . 72.42 111.34 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.408 HG21 ' CE2' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -77.8 146.69 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.737 -0.665 . . . . 73.35 110.819 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -98.11 126.47 43.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.661 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' CE2' HG21 ' A' ' 2' ' ' THR . 33.7 m-85 -118.96 125.07 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.114 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.38 106.36 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.673 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.49 108.51 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.55 111.053 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.19 102.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.952 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -83.61 139.62 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 65.12 111.192 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 m -137.93 157.02 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 74.02 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.89 176.99 47.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 61.32 112.585 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.17 25.0 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 75.41 111.228 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -78.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.66 -0.781 . . . . 74.23 112.55 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.52 -23.71 36.34 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.83 -0.7 . . . . 64.53 112.735 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.1 m -53.74 -39.11 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 74.53 111.322 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.39 50.87 1.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 73.11 112.611 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 302' ' ' HOH . 2.1 pttt -77.16 -30.56 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 73.54 110.884 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -32.44 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -53.02 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 65.31 111.219 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 38.5 mt -62.56 -38.11 88.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 74.0 110.836 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -62.93 -58.21 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.817 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.52 -29.32 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.181 -0.463 . . . . 64.21 110.793 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -71.23 -44.51 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 72.4 110.751 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.79 -4.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.539 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.406 HG21 ' CD2' ' A' ' 40' ' ' TYR . 26.2 mm -118.1 -69.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.803 0.335 . . . . 75.13 111.221 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 2.8 mp0 -79.35 -30.92 42.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.34 111.102 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m120 73.1 66.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.306 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 5.9 p80 -177.11 155.31 1.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.759 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.6 OUTLIER -58.79 128.62 38.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 74.5 110.916 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 t -54.44 148.09 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.967 0.413 . . . . 75.41 111.124 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 175.19 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.732 -0.667 . . . . 75.44 110.404 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.07 75.73 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.779 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -140.97 168.24 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -102.13 149.53 36.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.974 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.86 111.97 3.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.602 2.202 . . . . 72.14 112.33 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m 55.79 89.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.996 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -147.32 179.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 71.13 111.258 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.54 -104.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 74.25 110.688 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 45.45 49.33 10.62 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.934 0.397 . . . . 73.21 111.044 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.5 p -53.92 147.79 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 73.22 111.048 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD2' HG21 ' A' ' 24' ' ' ILE . 5.8 m-85 -87.01 164.18 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.906 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -143.16 106.42 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.837 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -112.36 145.89 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.964 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -104.88 132.08 51.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.73 174.93 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.121 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.66 100.8 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.5 mt -114.66 138.44 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.021 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t0 63.6 17.69 10.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 71.21 111.23 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.15 40.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 74.31 112.858 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -102.21 155.17 18.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.2 111.1 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.0 m -92.12 131.44 37.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 74.55 110.702 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.8 m -146.8 146.64 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 72.05 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.96 146.96 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.643 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 mt -118.33 109.02 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 72.15 110.84 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.46 90.79 3.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.151 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 1.6 mp -79.87 116.09 23.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.718 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD23 ' CG ' ' A' ' 71' ' ' TYR . 16.6 tp -83.15 126.77 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.034 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -112.14 78.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 72.4 110.931 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.8 p -80.42 -173.76 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.937 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.56 162.68 13.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 55.42 111.344 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.13 -49.2 60.39 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.953 -0.642 . . . . 70.23 112.535 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -166.12 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 74.11 110.69 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 51.03 27.94 3.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 73.02 111.356 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 56.67 32.08 20.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 74.21 110.9 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 67' ' ' MET . 0.0 OUTLIER -95.33 39.17 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 75.11 110.979 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 p -58.96 -29.09 66.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.18 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.06 77.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.842 -0.617 . . . . 72.33 110.764 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.868 ' HA ' ' HAC' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -84.11 -42.16 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.6 -0.727 . . . . 75.34 110.8 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -54.59 -44.72 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 74.23 111.326 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.06 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 72.35 111.133 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.728 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 13.2 tp60 -75.5 -37.22 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.176 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.646 ' CE1' ' S7 ' ' A' ' 203' ' ' KOB . 25.6 m-85 -59.0 -37.44 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.374 -0.375 . . . . 74.33 111.154 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 78' ' ' PHE . 1.4 mtt -67.86 -35.81 79.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 74.14 110.305 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -81.48 -15.21 55.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.648 . . . . 75.02 111.236 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 p -104.72 -5.33 21.4 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.456 -0.338 . . . . 73.4 111.577 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.46 160.64 13.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.442 -0.885 . . . . 73.13 112.995 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -103.75 -15.59 15.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.669 0.271 . . . . 73.0 111.071 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.11 174.11 28.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 52.21 112.526 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 63.6 m-85 -143.83 136.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 75.31 111.077 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.05 116.62 27.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 72.24 110.754 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.49 123.41 41.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 74.1 110.891 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.21 131.19 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.3 110.987 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -128.11 128.82 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.765 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.9 123.72 34.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.96 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -64.74 -22.04 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.54 111.204 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.88 8.1 30.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 64.43 111.245 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -138.38 107.39 6.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.836 0.35 . . . . 63.13 110.919 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -30.71 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.21 110.831 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -67.07 -39.0 86.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.857 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.6 p -59.12 -40.37 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 70.14 110.667 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 11.8 t80 -63.43 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.741 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.92 -26.67 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.026 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -70.54 -33.78 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 73.42 110.981 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.7 -30.46 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 74.43 110.863 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.97 -55.43 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.854 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.54 -31.44 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.051 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.6 m-85 -61.05 -48.13 83.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 74.53 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.91 -35.34 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.98 -27.02 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 63.4 111.008 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.35 -34.9 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.498 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.9 -46.54 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.22 111.011 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -59.24 -26.74 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 73.21 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -67.47 -58.9 3.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 73.43 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.37 -54.72 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.14 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.7 47.91 2.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.4 152.79 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.817 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -90.64 -36.13 14.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 70.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.16 82.11 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.933 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.04 151.95 45.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 74.1 111.026 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.16 104.23 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.568 2.179 . . . . 74.44 112.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.3 ptp -152.88 168.19 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.843 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 39.0 t -143.04 149.74 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.15 111.209 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 tp -107.76 107.05 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.84 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.23 139.15 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.264 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.99 97.49 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.764 -0.731 . . . . 74.54 112.477 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -76.56 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 75.55 110.95 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 62.4 69.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.901 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.3 t -108.45 -22.26 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.099 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.13 -24.97 32.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 74.43 111.181 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.59 161.99 0.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 74.3 111.057 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.63 29.87 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 73.33 111.304 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.36 57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 73.25 111.192 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -83.52 138.3 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 74.3 111.049 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.1 p -106.28 -48.73 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.769 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.2 t -100.21 104.46 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 64.42 110.963 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.6 155.4 12.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.945 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.9 m -57.0 -29.8 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -58.77 -39.94 82.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.844 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.29 -34.71 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -79.86 -35.69 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 64.31 111.085 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -41.78 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.958 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.57 -42.79 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.432 HD23 ' CE2' ' A' ' 137' ' ' TYR . 1.2 tm? -66.95 -51.96 48.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.45 111.19 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.08 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.906 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -61.91 -23.85 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 73.54 110.97 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 p -76.62 -35.79 57.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 73.01 110.803 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.432 ' CE2' HD23 ' A' ' 133' ' ' LEU . 22.8 m-85 -76.66 -21.6 55.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.55 111.113 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.09 14.67 62.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.768 . . . . 74.15 112.601 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.0 pt -108.33 151.01 41.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.721 0.296 . . . . 72.44 111.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.05 151.51 85.5 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.602 2.202 . . . . 74.14 112.433 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -123.26 106.5 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 71.01 110.508 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.7 mp -108.07 144.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.42 111.016 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.11 131.99 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.54 111.011 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 33.6 p -142.26 174.63 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 71.5 110.957 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.48 124.72 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.862 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.26 -2.39 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.55 111.582 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -95.02 -29.3 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.319 . . . . 74.44 110.986 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.0 p -122.42 1.35 9.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 71.22 111.571 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 49.35 67.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.901 0.382 . . . . 74.4 111.135 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.33 117.43 29.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 64.02 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 56.24 20.83 30.35 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.861 -0.685 . . . . 72.24 112.941 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.52 -55.54 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.833 0.349 . . . . 73.11 111.297 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 2.5 mp0 -66.43 -27.6 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.814 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -56.54 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.907 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -56.17 -35.54 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 74.42 111.158 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 19' ' ' LEU . 3.2 m-85 -70.71 -50.89 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.0 m-85 -53.94 -27.56 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 72.44 111.153 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 9.5 m -56.84 -43.16 80.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 61.02 111.13 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -32.27 63.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 72.14 110.799 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.95 -53.72 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 72.32 110.986 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -63.02 -31.38 72.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.782 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.48 -47.18 57.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.13 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 42.4 mt -66.7 -34.96 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.137 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.3 mtm-85 -51.32 -29.9 16.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.058 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -108.17 -35.35 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.915 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.257 -0.877 . . . . 63.01 110.92 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.632 ' N3B' ' O1A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.369 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.029 0.443 . . . . 75.41 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.27 144.92 23.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 65.53 110.635 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -109.14 115.42 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.935 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -101.18 99.08 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.864 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -86.63 98.27 11.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.883 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.7 mt -84.3 130.49 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.247 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.418 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 71.4 t -103.57 102.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.834 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.5 138.65 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.13 111.001 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.92 151.13 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 73.42 110.949 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.19 156.26 22.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.664 -0.779 . . . . 54.33 112.625 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.45 50.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.261 . . . . 70.31 111.609 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.87 -69.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 65.33 112.086 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' HA2' ' O1B' ' A' ' 201' ' ' GNP . . . -75.5 -5.9 79.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 62.32 112.452 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -54.67 -29.99 21.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.752 0.31 . . . . 73.13 111.42 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.84 26.85 11.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.549 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -65.5 -23.05 66.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 74.2 111.106 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -80.38 -42.83 22.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 63.2 111.064 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.09 -46.48 68.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.273 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -34.65 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.0 m -70.33 -50.62 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.835 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG23 ' CE1' ' A' ' 27' ' ' HIS . 44.7 mm -60.95 -42.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 72.31 111.01 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -57.59 -44.21 85.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 61.04 110.764 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.14 -59.11 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 73.51 110.608 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.51 -59.09 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 73.33 110.924 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -90.25 -90.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 72.43 110.758 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.55 -34.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.723 0.297 . . . . 74.34 111.22 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' HG23 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -81.8 176.16 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.021 0.438 . . . . 74.32 111.482 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CE2' " O2'" ' A' ' 201' ' ' GNP . 47.2 t80 -70.29 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 72.32 111.124 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -175.96 130.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.763 0.316 . . . . 72.22 110.746 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 177.28 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 64.33 110.611 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.65 66.08 8.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.963 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.08 133.2 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.805 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 145.91 98.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 64.22 110.594 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -25.25 19.42 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.494 2.129 . . . . 74.1 112.49 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -92.37 -35.57 13.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 72.45 111.087 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.03 148.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.96 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.58 -177.97 6.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.945 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.99 47.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.33 110.846 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 p -105.66 125.11 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 134.42 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.678 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -115.16 123.35 48.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -121.36 148.75 43.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -101.34 126.09 48.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.64 174.71 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 73.01 111.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.27 100.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 43.8 mt -119.62 131.6 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 62.12 111.082 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.22 34.31 8.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.52 31.81 67.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 62.31 112.524 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.49 109.15 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 73.53 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -59.69 124.01 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.859 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.0 m -147.44 152.19 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 143.61 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.807 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.8 mt -117.52 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 53.13 110.767 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.82 97.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.999 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.1 mm -79.04 122.04 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 65.35 110.988 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD13 ' CG ' ' A' ' 71' ' ' TYR . 3.2 tm? -114.43 101.41 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.899 -0.591 . . . . 72.42 110.847 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.71 108.76 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.781 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 71' ' ' TYR . 12.0 p -75.22 171.49 14.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.844 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 155.68 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.182 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -110.61 -24.52 5.55 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.375 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -102.49 -31.86 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 74.11 110.843 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.44 179.7 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.874 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -103.43 -79.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER 52.52 35.74 18.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.253 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 p -58.16 -36.41 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 74.13 110.717 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.34 -52.28 65.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.509 . . . . 62.33 110.748 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.559 ' CE ' ' C4 ' ' A' ' 203' ' ' KOB . 14.3 mtp -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.821 -0.627 . . . . 73.13 110.855 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.57 -25.61 11.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.296 -0.411 . . . . 75.43 110.984 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.29 -36.78 39.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 75.41 111.11 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.737 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -57.16 -41.93 80.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.374 . . . . 75.25 110.76 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.552 ' OH ' ' O3B' ' A' ' 203' ' ' KOB . 17.2 m-85 -52.86 -50.54 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 74.15 111.606 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mtt -55.96 -34.95 66.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.421 . . . . 74.04 110.394 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -81.44 -17.73 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 64.24 111.492 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 70' ' ' GLN . 81.8 p -98.32 -11.02 22.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.698 0.285 . . . . 75.31 110.98 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -100.73 155.06 19.32 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.52 -0.848 . . . . 70.14 113.692 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -96.33 -18.93 19.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.797 0.332 . . . . 74.45 110.566 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.3 -165.83 12.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.967 -0.635 . . . . 73.13 112.12 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -155.23 140.42 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 74.01 111.305 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.02 121.9 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 73.54 110.756 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.4 m -97.29 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.85 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.2 t -102.81 112.96 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -125.6 144.16 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.614 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.33 123.64 32.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.312 -0.403 . . . . 73.53 110.947 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.1 pt -59.92 -31.17 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.855 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.39 -29.15 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 75.14 110.812 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -106.5 109.27 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.793 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -67.44 -25.36 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.03 111.174 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -41.54 97.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.444 -0.344 . . . . 72.22 110.678 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.6 p -61.32 -28.9 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.875 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.12 -45.09 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.15 110.895 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.44 -29.89 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.21 111.082 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -67.09 -32.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 60.11 110.909 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.84 -28.94 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.62 -55.36 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.03 110.695 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -67.07 -28.46 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 73.53 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.3 m-85 -63.45 -49.66 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 70.1 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -57.1 -35.96 70.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.82 81.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -37.25 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.837 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.4 mt -69.46 -44.05 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.54 111.024 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -30.46 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 75.34 110.84 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -58.94 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 73.35 111.014 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.69 -58.2 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 72.44 110.876 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -59.24 -24.92 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.684 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.5 t0 62.06 37.42 14.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 72.54 110.802 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -164.14 157.45 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 70.5 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -85.79 -42.56 14.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.654 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.86 92.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.644 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 48.3 t -128.5 136.39 29.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.782 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 63.2 Cg_endo -74.73 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.902 2.402 . . . . 75.22 112.471 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.83 168.15 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.22 110.886 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.1 t -143.19 151.08 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.45 111.071 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 tp -110.43 127.28 55.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.964 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.0 t -120.47 137.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.41 111.082 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.57 78.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.717 -0.754 . . . . 70.54 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -52.71 170.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.823 0.344 . . . . 74.31 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt 61.98 49.7 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.8 t -87.47 5.84 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 64.01 111.411 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -110.05 -17.91 13.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.708 0.289 . . . . 73.04 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.62 173.01 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.403 -0.362 . . . . 74.01 111.001 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.35 41.27 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 70.04 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -166.78 64.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.983 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.03 84.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.22 111.013 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.2 p -60.52 -28.14 68.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 61.52 110.724 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.37 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.64 165.45 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 72.21 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.0 m -57.5 -25.19 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 75.11 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -62.47 -56.51 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 74.24 110.934 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.26 -39.14 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.04 111.071 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 141' ' ' TYR . . . -66.92 -37.12 83.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.25 111.266 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -29.91 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.054 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.18 -45.5 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.395 . . . . 72.13 111.027 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.09 -48.79 27.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.168 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.13 73.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 64.14 111.063 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -73.69 -44.25 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 74.3 110.856 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -64.08 -37.21 86.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.805 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.473 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-85 -84.33 -21.55 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.072 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.38 18.15 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 60.31 112.591 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.473 HG12 ' HB2' ' A' ' 137' ' ' TYR . 8.0 pt -106.29 156.77 36.34 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.334 . . . . 75.24 111.46 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.71 148.84 42.27 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.616 2.211 . . . . 73.51 112.206 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 130' ' ' ALA . 13.9 t80 -124.76 124.78 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 74.42 111.015 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.11 155.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.829 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.67 129.76 56.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 72.01 110.856 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.7 p -143.97 165.64 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 74.23 111.006 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.73 123.75 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 75.23 110.735 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.447 ' CB ' ' O6 ' ' A' ' 201' ' ' GNP . . . -74.03 -25.47 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.54 111.263 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -77.8 -51.28 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 73.15 111.111 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 p -88.08 -20.35 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 64.4 111.436 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 63.34 61.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 73.22 110.596 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -119.76 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 75.03 110.95 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.61 8.84 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.847 -0.692 . . . . 71.22 112.906 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -57.42 -40.4 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 74.03 111.162 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.4 mt-10 -73.69 -31.69 63.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.827 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.01 -34.77 76.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.836 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.88 -40.44 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 62.42 111.1 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -69.03 -49.6 56.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 m-85 -56.64 -28.8 61.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 99.0 m -59.01 -43.27 91.52 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.274 -0.421 . . . . 72.14 110.612 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.94 -44.23 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 73.2 110.515 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.6 t -51.29 -46.95 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.198 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -31.97 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 71.02 110.8 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.93 -51.71 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.111 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 32.0 mt -56.74 -45.38 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.349 -0.387 . . . . 75.34 111.01 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -26.42 66.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 74.02 111.167 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -95.49 26.13 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 71.42 111.198 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 73.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.628 ' N3B' ' O1A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.223 ' N7 ' ' O1A' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . 0.555 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 74.32 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.82 149.78 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.822 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.83 110.45 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 71.02 110.842 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -97.88 116.02 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -90.7 92.17 8.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 73.4 110.763 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -91.97 134.55 34.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.152 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.429 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 60.6 t -109.67 105.3 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.88 140.26 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 71.33 110.87 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.2 m -141.02 137.6 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.206 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.5 154.55 19.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.408 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.49 175.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 74.13 111.128 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 -44.41 92.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 71.41 112.422 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.44 54.18 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.423 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -117.07 -39.39 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 75.53 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.25 47.31 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 63.34 112.695 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 302' ' ' HOH . 15.0 pttt -73.62 -33.24 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 71.12 110.731 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 p -71.36 -31.9 67.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 74.45 111.011 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.78 -63.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.258 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.51 -24.71 33.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 63.23 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.1 m -67.1 -43.88 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 74.34 111.186 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' ' 27' ' ' HIS . 1.5 mp -71.65 -30.4 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 75.32 110.924 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -56.22 -39.96 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 65.24 110.884 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.8 -35.44 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 75.11 110.963 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.17 -69.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.406 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 59.2 mt-30 -96.0 -97.95 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.063 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 2.6 m-20 165.41 43.78 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.866 0.365 . . . . 74.44 110.74 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CE1' HG21 ' A' ' 21' ' ' ILE . 35.1 p80 -149.5 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.365 . . . . 71.41 111.071 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 3.1 t80 -98.32 133.58 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.54 . . . . 74.42 110.853 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.94 146.32 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.027 0.442 . . . . 72.45 110.897 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.9 t70 178.36 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.72 -0.673 . . . . 72.12 110.455 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -105.04 93.48 4.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 74.03 110.718 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -146.53 164.52 32.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.853 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.4 128.3 25.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.11 110.884 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.77 -25.37 23.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.442 2.094 . . . . 74.33 112.312 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -28.48 63.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.24 111.018 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 pt -108.28 152.14 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 74.41 111.249 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -22.4 37.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.776 -0.647 . . . . 73.14 111.36 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t0 61.59 41.18 12.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.954 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 p -94.27 163.26 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.826 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.12 149.64 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.855 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.74 117.65 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.857 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -113.69 150.09 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.981 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.36 135.71 41.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.41 110.843 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.41 174.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.155 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.1 106.54 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.991 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -127.15 124.3 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.138 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.68 39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 65.04 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.03 28.67 61.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 73.32 112.538 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -146.27 104.44 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 75.54 110.882 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.7 m -58.96 128.86 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.829 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.9 m -145.22 152.11 39.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.992 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.52 136.83 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 74.42 110.876 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -106.69 79.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 75.33 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.56 93.58 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 mm -84.25 110.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.143 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.52 123.75 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 75.3 110.911 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.81 100.04 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.907 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -85.1 -175.8 5.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.47 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.35 111.13 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.8 -41.49 8.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 73.33 112.472 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -160.04 86.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.34 110.924 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.34 -173.93 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.869 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.75 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 74.23 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' CD1' ' CG ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -93.2 -77.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.848 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.54 -62.84 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.539 . . . . 72.51 111.238 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.03 3.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 74.23 111.358 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.542 ' HE2' ' N3 ' ' A' ' 203' ' ' KOB . 1.0 OUTLIER -83.8 -28.14 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.924 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.8 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.724 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -33.22 58.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 63.45 110.614 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG2' ' S7 ' ' A' ' 203' ' ' KOB . 2.4 tp60 -68.87 -39.39 79.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 74.03 110.702 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -58.42 -36.73 74.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.741 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -48.22 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 64.31 110.075 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 47.1 mtm180 -67.89 -12.0 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.616 . . . . 73.33 111.191 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.526 ' CG2' ' S7 ' ' A' ' 203' ' ' KOB . 69.6 p -99.25 -11.77 20.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.67 0.272 . . . . 74.44 110.93 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -110.36 148.57 17.54 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.605 -0.807 . . . . 72.04 113.254 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.89 -21.67 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 75.15 110.633 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.64 -174.3 13.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.039 -0.6 . . . . 75.52 112.138 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -150.55 134.85 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 74.43 111.021 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 108.83 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.945 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -88.82 128.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.876 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.15 133.85 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.056 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.99 130.22 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.645 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.21 123.75 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 75.4 111.103 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.8 pt -60.17 -31.37 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -71.35 -25.91 62.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 70.01 110.928 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -114.62 99.69 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 74.1 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -58.41 -27.71 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -57.49 -45.11 85.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.842 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.65 -36.88 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 55.44 110.854 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.94 -36.97 78.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.15 110.821 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.81 -28.89 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.35 110.952 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -70.69 -32.84 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.995 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.4 mm -61.07 -29.65 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 72.35 110.756 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.86 -55.43 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.61 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.46 -28.81 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.997 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.07 -41.66 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 71.14 110.836 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -63.57 -36.55 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 63.44 110.934 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.25 -41.21 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.009 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -37.64 82.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.04 -49.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 71.03 111.09 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -35.46 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 75.1 110.949 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -58.02 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.855 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 54.5 t -58.05 -59.18 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.023 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -25.71 67.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t70 63.58 43.5 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 71.25 110.803 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -174.3 154.29 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.94 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -34.49 29.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 71.25 110.756 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -75.43 98.48 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 60.31 110.716 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.409 ' CG1' ' HD2' ' A' ' 110' ' ' PRO . 58.9 t -139.57 136.9 18.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.887 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 109' ' ' VAL . 57.2 Cg_endo -71.89 101.13 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.784 2.322 . . . . 63.34 112.128 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.5 ptp -145.39 168.73 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.992 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 48.3 t -145.31 145.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 75.05 111.058 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -108.9 107.85 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 75.43 110.928 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.34 150.5 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.182 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.99 100.2 1.02 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 73.23 112.429 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -76.71 168.57 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 74.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mttp 60.56 64.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.971 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.26 -15.11 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.41 111.164 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -88.85 -25.91 21.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.299 . . . . 72.01 111.134 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.1 mt -53.02 150.91 5.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 64.31 111.08 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.1 31.04 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.154 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.02 70.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.11 111.114 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.99 84.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.845 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.8 p -56.51 -34.81 67.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 74.41 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.5 t -110.47 124.11 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.5 162.4 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 71.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.6 t -70.33 -38.47 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 111.009 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -55.75 -46.09 77.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.31 -38.32 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.8 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.096 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.406 ' HG2' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -68.61 -31.02 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.871 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.21 -43.68 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.74 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 137' ' ' TYR . 15.6 tp -72.73 -48.72 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.706 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.11 -39.91 76.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 72.23 111.079 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -64.84 -29.82 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 110.941 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -72.75 -35.29 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.584 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.408 ' CE2' ' HG ' ' A' ' 133' ' ' LEU . 20.2 m-85 -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 74.12 111.019 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.9 17.6 65.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.717 -0.754 . . . . 62.1 112.544 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.2 pt -112.52 156.86 41.66 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 72.1 111.399 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.04 157.04 61.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.608 2.205 . . . . 74.33 112.436 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.406 ' CD2' ' HG2' ' A' ' 131' ' ' GLN . 80.8 t80 -129.19 116.88 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 75.51 110.548 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.94 156.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.195 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -114.41 134.05 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.868 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 30.7 p -144.14 166.86 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 73.25 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 p -137.72 113.53 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.845 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.407 ' HB2' ' O6 ' ' A' ' 201' ' ' GNP . . . -65.79 -23.7 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.402 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.135 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.72 -20.0 61.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.31 111.292 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 66.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 75.42 110.787 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.85 125.2 50.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 74.41 110.829 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 54.55 23.35 27.69 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.697 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.9 t -57.73 -55.9 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 74.04 111.052 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.7 -25.95 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 71.02 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.65 -50.6 72.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 71.44 110.851 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.29 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.923 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.04 -50.48 73.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.779 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -54.05 -33.98 58.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 75.44 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.0 m -58.04 -42.84 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 75.12 110.909 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.95 -43.52 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.924 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 38.7 t -53.88 -55.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 75.44 111.145 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -52.77 -40.44 63.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.084 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.41 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 163' ' ' ILE . 27.4 mt -65.32 -44.62 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.242 -0.435 . . . . 75.31 111.196 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -49.91 56.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.354 -0.384 . . . . 74.42 111.084 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.44 -27.34 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.942 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 74.32 110.815 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' GNP . . . . . 0.512 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' KOB . . . . . 1.318 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 50' ' ' THR . 7.2 tpp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 70.24 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -125.93 144.21 50.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 72.13 110.793 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.82 110.48 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 71.11 110.825 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 21.6 m-85 -101.87 107.62 18.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 1.2 mmtm -89.18 95.4 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 70.44 110.817 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 55' ' ' ILE . 62.7 mt -90.01 110.2 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.12 111.045 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.85 104.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.14 111.047 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.95 119.71 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 79' ' ' LEU . 29.6 m -130.58 150.25 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 71.43 111.046 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.42 -73.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.635 -0.793 . . . . 34.41 112.549 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -179.46 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 73.32 111.074 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.81 -29.07 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 73.1 112.449 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.89 32.37 2.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 42.15 112.471 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.44 -26.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 51.2 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.11 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 63.24 112.635 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -60.76 -43.96 97.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 75.25 110.736 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -63.48 -43.0 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.77 -43.18 94.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 70.23 111.148 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD2' HG13 ' A' ' 152' ' ' VAL . 12.4 mt -68.61 -29.09 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HG21 ' A' ' 55' ' ' ILE . 90.6 m -67.4 -56.6 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.967 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 40' ' ' TYR . 44.8 mm -54.17 -29.75 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 44.32 111.277 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.7 ' CB ' HG11 ' A' ' 152' ' ' VAL . 38.8 mm-40 -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.946 0.403 . . . . 64.44 110.593 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -67.33 -17.22 64.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.544 . . . . 71.44 111.165 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 42.0 mm -90.81 -69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 73.24 111.79 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.441 -0.345 . . . . 64.45 111.688 -179.167 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 10.9 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.722 0.296 . . . . 72.01 110.806 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' A' ' 52' ' ' LEU . 41.3 ptt180 -108.75 127.42 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 74.31 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.66 145.97 50.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.32 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -92.25 131.98 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 61.22 110.727 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.716 HG21 HD11 ' A' ' 53' ' ' LEU . 21.9 m -145.92 179.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 40.53 111.226 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -126.7 100.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.52 111.048 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.754 ' CD1' HG21 ' A' ' 160' ' ' VAL . 30.3 mt -116.95 136.98 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 65.03 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.21 28.25 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.921 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.72 32.02 77.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 42.5 112.551 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -146.08 106.39 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.53 111.002 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' SD ' ' A' ' 1' ' ' MET . 85.1 m -61.76 125.66 24.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 55.04 110.739 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 96.5 m -148.83 163.65 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 43.32 111.074 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -87.09 148.16 25.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 75.55 110.596 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' VAL . 65.2 mt -121.98 81.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 75.11 111.108 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 98.31 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.821 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.681 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.1 mm -89.03 112.01 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.17 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.3 OUTLIER -97.6 118.99 35.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 72.21 110.53 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.6 97.3 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.643 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.494 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.9 p -75.2 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.935 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 53.51 110.996 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.484 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.0 mmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.016 0.436 . . . . 74.35 110.386 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -59.76 4.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.772 -0.649 . . . . 54.51 111.476 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -49.46 -27.14 3.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 64.33 111.63 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.729 ' O ' HG23 ' A' ' 74' ' ' THR . 6.7 tp60 -81.65 -38.37 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.416 -0.356 . . . . 75.02 111.267 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 67' ' ' MET . 21.4 m-85 -68.33 -36.17 78.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 74.33 111.548 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -66.54 -38.17 86.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.012 0.434 . . . . 64.44 110.266 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -79.06 -14.79 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 72.31 111.492 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' GLN . 76.0 p -100.6 -21.12 15.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.788 0.328 . . . . 72.3 110.819 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -90.98 149.72 20.1 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.831 -0.7 . . . . 61.52 113.172 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.03 -18.11 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 75.11 110.789 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.93 164.63 32.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.02 -0.61 . . . . 74.14 112.166 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 100' ' ' ILE . 15.4 m-85 -128.28 142.92 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 72.35 111.17 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.113 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -115.04 117.16 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 72.43 110.814 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.801 ' HB3' HD12 ' A' ' 93' ' ' ILE . 85.3 m -95.74 104.16 16.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 64.42 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.82 132.9 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.91 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HZ ' ' HB2' ' A' ' 130' ' ' ALA . 31.7 p90 -144.85 152.39 40.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.796 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.7 123.78 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 72.11 111.024 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.9 pt -57.88 -30.3 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 64.35 110.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.53 -16.77 62.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.851 -0.613 . . . . 73.4 111.076 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.49 104.38 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 74.43 111.007 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 m -65.42 -25.2 67.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 62.55 110.939 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -68.03 -41.91 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 53.12 110.68 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -58.89 -37.45 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.81 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.433 ' CE1' HD22 ' A' ' 133' ' ' LEU . 87.7 t80 -61.04 -28.08 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 73.32 110.77 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.7 -37.34 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 62.31 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.801 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.3 mm -59.66 -27.38 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 70.31 110.819 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.61 -55.36 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.14 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -30.03 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.445 -0.343 . . . . 63.02 111.116 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -63.28 -43.78 96.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 73.34 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.408 HH21 HD11 ' A' ' 139' ' ' ILE . 25.5 ttm105 -61.3 -38.39 86.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 74.24 111.065 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.18 -29.03 44.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.046 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -43.27 45.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.749 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 78' ' ' PHE . 61.9 mt -59.61 -50.45 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.982 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 107' ' ' ASP . 14.2 mtmt -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.01 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 64.03 111.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 72' ' ' MET . 47.6 t -58.39 -52.14 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 73.44 111.051 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -22.46 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 71.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.0 t0 64.38 47.93 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 51.55 110.736 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.27 136.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 52.42 110.737 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 p-10 -70.78 -37.59 73.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.054 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -93.38 91.09 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.183 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.9 m -115.32 153.36 47.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.879 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.6 Cg_endo -70.83 105.99 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.492 2.128 . . . . 75.4 112.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.63 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.8 ptp -154.29 170.74 20.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 55.13 110.926 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -140.54 149.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 42.55 111.139 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.0 tp -113.46 103.25 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.83 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.729 HG21 ' HB1' ' A' ' 155' ' ' ALA . 20.1 t -102.0 145.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.219 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.32 90.01 0.54 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.418 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.72 168.92 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.4 111.027 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt 61.96 67.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 64.4 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.7 t -104.47 -14.98 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 44.14 111.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -85.42 -24.55 27.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 55.43 111.151 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.86 165.38 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.35 . . . . 75.3 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.46 26.21 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 32.32 111.485 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -147.02 65.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 70.24 110.986 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.743 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.2 ptp85 -79.35 124.89 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 74.25 111.264 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.2 p -94.79 -41.32 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 75.43 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.03 94.17 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.022 -0.536 . . . . 73.43 110.666 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.86 157.93 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 74.52 111.036 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 p -56.84 -29.85 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 62.33 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -59.55 -43.14 93.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -34.29 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.999 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.466 ' HB2' ' HZ ' ' A' ' 82' ' ' PHE . . . -79.57 -36.53 38.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 71.21 111.085 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.59 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.88 -29.14 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.843 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.433 HD22 ' CE1' ' A' ' 90' ' ' PHE . 15.0 tp -80.45 -50.42 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.894 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.487 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.8 -44.75 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 53.21 111.114 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -31.28 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.12 110.566 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -74.87 -27.91 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.603 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.4 -17.26 39.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 61.44 111.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.42 15.64 61.74 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.386 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.63 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.7 pt -112.6 156.85 41.76 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.763 0.316 . . . . 64.42 111.515 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HG2' HG13 ' A' ' 112' ' ' VAL . 59.8 Cg_endo -73.06 153.62 52.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.586 2.19 . . . . 73.32 112.327 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -123.56 117.92 26.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.692 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.851 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.16 158.15 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.107 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.462 ' N ' HG22 ' A' ' 142' ' ' ILE . 5.4 mt-10 -123.84 131.51 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.828 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 64.15 111.063 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.416 ' HG ' ' HG1' ' A' ' 148' ' ' THR . 2.1 p -142.29 114.54 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.52 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.81 -20.75 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.53 111.46 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -85.91 -66.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.341 . . . . 60.23 111.236 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.416 ' HG1' ' HG ' ' A' ' 145' ' ' SER . 5.3 p -70.89 -20.62 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.264 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 64.66 67.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 71.41 110.746 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.66 121.52 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.02 110.974 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 144' ' ' THR . . . 53.3 27.32 31.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 55.33 112.794 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 19' ' ' LEU . 41.1 t -56.26 -55.27 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 64.31 111.108 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 23' ' ' LEU . 59.8 mt-10 -66.79 -27.88 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.3 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -36.44 73.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 71.24 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -71.43 -48.39 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.035 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.666 ' CB ' HD13 ' A' ' 23' ' ' LEU . 47.7 m-85 -61.19 -48.44 81.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.786 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.1 m-85 -50.48 -31.27 14.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 64.25 110.95 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 142' ' ' ILE . 6.4 m -60.4 -39.18 86.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.109 -0.496 . . . . 63.02 110.86 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.113 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.09 -48.01 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 75.23 110.953 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.754 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.8 t -57.89 -38.87 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 63.14 111.051 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -69.82 -30.05 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.85 -50.2 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 52.42 110.838 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 110' ' ' PRO . 20.0 mt -62.17 -45.06 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.179 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -57.54 -44.56 85.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.978 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -79.17 -21.36 46.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.03 111.179 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.15 -0.929 . . . . 74.31 110.868 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.643 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.807 0.337 . . . . 52.34 111.155 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 149.8 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.701 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.34 109.53 21.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 41.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -97.01 129.32 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.715 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -106.2 93.55 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.989 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 159' ' ' LEU . 27.1 mt -100.56 132.04 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 70.3 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 56' ' ' LEU . 15.4 m -109.14 137.38 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.24 111.226 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 16' ' ' LYS . 22.0 t -115.71 123.45 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.987 -0.551 . . . . 65.45 111.2 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.6 m -104.16 166.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 75.25 110.979 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.28 169.08 41.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.652 -0.785 . . . . 74.11 112.541 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.69 27.68 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 65.04 111.247 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.31 60.27 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.696 -0.764 . . . . 62.53 112.801 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.89 31.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 64.4 112.214 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 m -106.67 -22.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 62.21 111.241 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.24 11.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.671 -0.776 . . . . 65.15 112.398 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HB2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -63.35 -32.34 73.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 71.23 110.83 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 p -76.32 -43.76 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.22 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -55.51 -34.77 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 21.32 111.187 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.2 -36.22 81.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 55.52 110.767 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.671 HG23 ' CG2' ' A' ' 55' ' ' ILE . 90.0 m -70.51 -55.62 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 70.24 111.057 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.16 -30.44 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.371 -0.377 . . . . 72.31 110.958 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -59.94 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 74.24 110.625 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HG3' ' A' ' 153' ' ' GLU . 58.0 tp -76.68 -11.38 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 73.13 111.285 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -103.22 -72.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.713 0.292 . . . . 73.41 111.435 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 75.33 111.516 -179.611 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.773 0.32 . . . . 72.33 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HB2' HD12 ' A' ' 52' ' ' LEU . 26.4 ptt-85 -145.66 116.02 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.23 110.941 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -107.42 131.3 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 73.53 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' A' ' 52' ' ' LEU . 4.7 tt0 -88.13 119.69 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.803 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.65 -179.29 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.242 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.2 p -128.0 102.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.147 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 160' ' ' VAL . 20.8 mt -111.71 135.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.086 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.99 31.35 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.51 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.7 84.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 65.12 112.5 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -144.63 108.4 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 75.23 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -60.5 120.03 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.785 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.8 m -144.65 149.45 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.925 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.34 145.52 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.833 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 46' ' ' ILE . 29.4 mt -120.01 84.06 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.811 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.7 90.6 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 20' ' ' THR . 24.3 mm -78.38 114.82 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.778 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.909 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -98.27 121.57 40.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.026 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.63 101.87 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.723 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.423 ' CG2' HD21 ' A' ' 56' ' ' LEU . 14.6 p -79.6 -173.88 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.056 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 73.2 111.157 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.446 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 mmt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.979 0.419 . . . . 72.53 110.674 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -55.92 -56.91 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 73.32 111.361 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.25 -30.15 2.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.96 0.41 . . . . 72.25 110.752 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 74' ' ' THR . 6.1 tp60 -79.71 -44.79 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 71.34 110.172 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 56' ' ' LEU . 37.7 m-85 -56.44 -30.84 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.53 . . . . 73.13 111.111 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -74.0 -38.84 63.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 73.35 109.823 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -81.48 -21.01 38.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.641 -0.709 . . . . 72.14 111.225 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -98.0 0.49 46.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.558 -0.292 . . . . 54.22 110.73 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -114.82 150.17 18.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.688 -0.768 . . . . 51.04 113.289 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -19.3 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 75.12 110.556 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -147.26 178.28 24.99 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.993 -0.622 . . . . 34.13 112.282 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 72' ' ' MET . 45.9 m-85 -143.01 133.31 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.24 111.067 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.89 123.61 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 62.21 110.756 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.875 ' HB3' HD12 ' A' ' 93' ' ' ILE . 91.1 m -96.86 116.32 28.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.55 110.928 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.45 117.22 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.4 111.185 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.89 141.22 47.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.566 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.25 123.59 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 70.22 111.098 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.4 pt -59.32 -21.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.3 111.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.8 -34.9 51.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 74.32 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -99.37 114.23 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.3 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -72.25 -28.1 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 70.51 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -61.13 -39.44 90.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.372 -0.376 . . . . 74.24 110.553 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.1 m -63.24 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.707 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -62.84 -43.26 99.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 65.55 110.746 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.05 -27.5 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 50.35 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -69.11 -34.7 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 75.21 110.923 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.875 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.0 mm -60.69 -25.75 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.4 110.859 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -77.54 -55.37 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.791 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -28.27 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 73.34 111.039 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.78 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 73.21 110.948 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.82 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.685 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.0 -31.52 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 40.22 110.98 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -39.28 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HE1' ' A' ' 111' ' ' MET . 50.7 mt -69.96 -45.79 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.12 111.051 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -55.25 -27.56 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.945 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -74.91 -57.82 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.896 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.17 -53.61 46.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -27.97 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.972 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t70 63.51 47.17 3.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -173.27 141.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -74.76 -35.87 62.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.54 85.68 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 153.35 51.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 61.3 111.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.27 108.99 2.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.589 2.193 . . . . 73.53 112.363 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 139' ' ' ILE . 6.0 ptp -160.41 170.0 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.811 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.8 t -147.11 149.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 71.22 111.373 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 93' ' ' ILE . 5.5 tp -109.15 102.89 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 73.21 110.576 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.74 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.1 t -92.45 144.82 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.296 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.21 88.57 0.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.825 -0.702 . . . . 73.01 112.375 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.615 HD21 ' HB2' ' A' ' 146' ' ' ALA . 7.3 t-20 -67.04 173.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.11 111.022 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 84' ' ' ILE . 8.1 mptt 58.88 61.53 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.944 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.7 -0.05 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.34 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -102.59 -28.89 11.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.768 0.318 . . . . 63.05 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -54.9 150.36 10.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.032 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.26 35.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 52.03 111.274 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.13 71.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.3 111.072 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -94.98 109.88 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.761 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.9 p -84.0 -56.02 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.664 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.6 t -79.78 105.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.905 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.48 160.85 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.962 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.7 m -63.83 -38.56 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.41 111.022 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.26 -46.54 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.961 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -62.72 -41.6 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.957 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.43 81.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.183 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -30.23 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.022 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.75 -35.83 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 65.02 110.965 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -81.28 -51.5 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.52 111.025 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.39 69.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 61.04 111.124 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.66 -31.67 70.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 54.34 110.801 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -72.1 -40.6 68.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -67.56 -22.29 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 74.4 111.005 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.11 17.62 64.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.02 112.43 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.598 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -110.42 157.02 39.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 64.42 111.452 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.3 Cg_endo -70.78 151.58 63.38 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 54.02 112.234 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -123.19 118.13 26.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.955 HD11 HG21 ' A' ' 158' ' ' THR . 5.0 mp -120.95 143.97 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.908 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -112.79 132.17 55.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -144.56 -178.18 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 74.52 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 65.32 110.947 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.615 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -65.66 -20.63 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 43.21 111.437 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 70.23 111.244 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 p -70.96 -23.59 62.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 72.13 111.23 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.69 66.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 73.05 110.717 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.18 121.64 41.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 51.23 110.9 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.51 57.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.763 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 37.3 t -56.4 -55.15 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.917 0.389 . . . . 72.41 111.053 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.0 mp0 -61.47 -28.91 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 74.03 110.794 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.76 63.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.74 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -54.2 -37.51 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.401 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.86 -50.27 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 65.23 111.009 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 21.1 m-85 -56.12 -28.55 58.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 70.42 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.955 HG21 HD11 ' A' ' 142' ' ' ILE . 1.9 m -58.37 -43.04 88.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 73.12 110.809 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.58 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.0 tp -60.34 -47.13 87.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 46' ' ' ILE . 38.8 t -50.57 -46.59 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 54.33 111.154 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -37.58 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.736 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.99 -48.34 71.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.773 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.19 -49.98 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.094 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.68 -45.1 66.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.953 -0.567 . . . . 72.41 111.212 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.56 -24.47 42.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 75.14 111.188 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.238 -0.887 . . . . 71.3 110.875 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.656 ' SD ' HG22 ' A' ' 50' ' ' THR . 5.8 tpp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.964 0.411 . . . . 70.12 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.16 149.95 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 72.11 110.462 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.28 120.36 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -108.29 114.62 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.964 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.468 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -88.16 99.7 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.94 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 159' ' ' LEU . 9.6 mt -87.9 112.24 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.806 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.19 102.04 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -84.13 137.39 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.975 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -148.34 152.57 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 70.1 110.983 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -160.27 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 45.53 112.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . 176.79 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.681 0.277 . . . . 74.14 111.356 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.35 54.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.789 -0.72 . . . . 62.42 112.196 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.43 -22.82 0.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.837 -0.697 . . . . 34.2 112.61 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.8 m -50.31 -26.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.751 0.31 . . . . 72.12 111.44 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 22.03 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 62.22 112.703 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -39.36 87.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 75.4 110.7 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.51 110.808 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -59.26 -59.91 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 31.5 111.368 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.751 HD22 HG13 ' A' ' 152' ' ' VAL . 58.7 mt -57.42 -29.27 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.055 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.687 HG23 HG21 ' A' ' 55' ' ' ILE . 87.5 m -63.18 -45.9 89.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 43.23 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.575 HD11 ' OH ' ' A' ' 40' ' ' TYR . 41.2 mm -71.39 -33.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.171 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -58.42 -41.94 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -69.22 -32.25 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.12 111.07 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -82.28 -69.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.14 111.431 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 116.488 -0.323 . . . . 62.15 110.935 -179.812 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' OH ' HD11 ' A' ' 21' ' ' ILE . 7.8 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 73.52 110.921 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -135.63 131.28 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.059 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -145.61 146.59 31.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.88 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.23 137.25 34.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 75.32 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 53' ' ' LEU . 27.3 m -145.63 176.14 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 73.51 111.116 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.94 101.52 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.161 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CD1' HG21 ' A' ' 160' ' ' VAL . 23.6 mt -127.5 138.18 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.068 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.56 30.31 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.911 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.07 30.53 73.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 44.43 112.51 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -141.67 98.13 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 71.15 110.964 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 ' SD ' ' A' ' 1' ' ' MET . 87.8 m -60.87 120.09 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.808 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.1 m -145.46 155.33 43.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.036 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -78.42 148.63 33.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.779 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 44' ' ' VAL . 24.9 mt -114.3 89.27 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.83 96.19 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.782 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.687 HG21 HG23 ' A' ' 20' ' ' THR . 22.9 mm -80.52 114.77 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 60.22 111.082 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.0 tm? -103.86 106.3 16.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.692 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.7 114.05 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.902 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 p -78.75 -173.75 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 53.34 110.805 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.215 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.7 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 75.23 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 36.7 ttp85 -52.38 -42.66 64.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.718 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -66.02 -39.22 90.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.522 . . . . 75.5 110.385 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.838 ' O ' HG23 ' A' ' 74' ' ' THR . 10.8 tt0 -61.14 -39.39 89.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.31 110.638 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' CD1' HD11 ' A' ' 56' ' ' LEU . 44.6 m-85 -57.83 -33.72 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.085 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.88 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -69.68 -40.1 76.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.046 0.451 . . . . 73.11 109.87 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 44.3 mtm-85 -81.28 -12.99 58.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.822 -0.626 . . . . 72.54 111.271 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.1 p -97.81 -19.67 18.01 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.843 0.354 . . . . 74.34 110.718 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -95.93 158.4 21.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.689 -0.767 . . . . 34.13 113.408 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 163' ' ' ILE . 2.3 mt-10 -101.56 -15.47 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 45.22 110.742 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.79 163.47 29.36 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.91 -0.662 . . . . 64.44 112.376 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 4.5 m-85 -130.93 143.31 50.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 72.52 111.214 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.039 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -126.86 117.7 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 63.42 110.887 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.06 102.83 14.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' O ' HG21 ' A' ' 14' ' ' VAL . 8.7 p -111.74 129.48 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.54 111.167 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.455 ' HA ' HG11 ' A' ' 14' ' ' VAL . 31.2 p90 -143.54 163.55 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 54.33 110.82 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -96.9 129.17 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 51.03 111.004 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB2' ' A' ' 123' ' ' ARG . 7.6 pt -67.5 -31.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.21 111.258 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.417 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 3.4 p-10 -65.57 -19.6 65.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 62.44 111.043 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -121.11 104.95 10.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 71.31 110.829 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 125' ' ' VAL . 1.6 m -61.47 -27.23 68.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 62.25 111.08 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -55.27 -46.57 76.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 73.02 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.422 ' HB3' HG11 ' A' ' 14' ' ' VAL . 4.4 m -57.45 -40.96 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.642 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 133' ' ' LEU . 37.6 t80 -61.15 -27.0 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 73.1 110.566 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.76 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 60.51 110.853 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -75.12 -31.31 61.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.65 -36.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 75.53 110.643 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -64.42 -55.47 20.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 64.33 110.809 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -67.1 -29.9 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 70.3 111.189 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.75 -54.91 36.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 70.12 111.039 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.481 ' NH2' HD22 ' A' ' 113' ' ' LEU . 8.0 ttm-85 -50.84 -37.05 40.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 71.42 111.347 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.52 -37.92 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.381 . . . . 74.45 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -60.38 -29.06 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.45 111.012 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.428 HD12 ' HE1' ' A' ' 111' ' ' MET . 43.5 mt -74.96 -38.45 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.325 -0.398 . . . . 62.1 110.925 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.03 -54.19 44.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 74.12 111.014 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.16 76.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 71.41 111.414 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 72' ' ' MET . 72.3 t -63.5 -65.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 75.23 111.136 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.461 ' HD3' HG11 ' A' ' 109' ' ' VAL . 5.4 mtpm? -59.34 -23.22 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 73.33 111.051 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t0 63.32 52.11 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 50.4 110.938 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.31 150.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 61.32 110.825 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -88.24 -30.64 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -93.75 85.18 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 54.45 110.921 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 104' ' ' LYS . 11.9 m -124.38 152.56 68.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 63.35 111.095 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.18 107.08 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.572 2.181 . . . . 73.35 112.437 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.428 ' HE1' HD12 ' A' ' 100' ' ' ILE . 6.1 ptp -150.24 173.11 14.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 62.22 110.901 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.6 t -150.7 161.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 73.4 111.155 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 134' ' ' ALA . 4.8 tp -129.65 111.24 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.846 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.647 HG21 ' HB1' ' A' ' 155' ' ' ALA . 24.2 t -109.19 155.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 51.33 111.257 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.93 92.39 0.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 53.14 112.393 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 165.87 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 72.44 111.066 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.49 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mttt 60.89 58.97 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.85 -4.77 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 63.23 111.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.36 -15.02 15.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 64.52 111.343 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 117' ' ' LYS . 6.5 mt -49.81 151.16 1.88 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.798 0.332 . . . . 72.41 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -99.71 16.74 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.61 61.11 1.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.834 0.349 . . . . 41.02 111.042 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB2' HD12 ' A' ' 84' ' ' ILE . 7.6 ptp85 -79.53 156.18 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.024 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -125.34 -47.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 52.5 110.794 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 87' ' ' THR . 40.1 t -96.3 96.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.032 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -58.21 159.6 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 44.11 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.2 t -55.96 -29.83 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 65.42 111.066 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -59.78 -46.22 89.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.54 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.34 -31.71 73.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 51.44 110.999 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.74 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.33 111.159 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -32.21 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -67.73 -31.54 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.55 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 90' ' ' PHE . 20.9 tp -78.95 -51.28 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.74 -41.53 98.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 34.13 111.187 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -27.17 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.959 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -76.45 -33.73 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 70.15 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.436 ' HB2' HG12 ' A' ' 139' ' ' ILE . 22.2 m-85 -84.11 -4.95 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.407 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.81 21.89 75.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 62.22 112.544 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 137' ' ' TYR . 16.8 pt -112.8 153.85 45.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 73.21 111.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.512 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.0 Cg_endo -71.08 163.81 37.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.526 2.151 . . . . 65.32 112.193 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 122.59 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 65.21 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.679 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.89 156.46 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.953 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.8 mp0 -124.28 123.51 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.801 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 44.8 p -135.9 177.41 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.51 111.088 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -149.6 114.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 40.44 110.865 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.43 -25.12 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.403 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -80.06 -66.29 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 75.2 111.202 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 p -72.83 -18.05 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 62.21 111.416 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.497 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 62.88 65.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 64.4 110.678 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 126.35 54.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 52.21 111.116 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 49.71 26.52 7.95 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.969 -0.634 . . . . 75.33 112.891 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.751 HG13 HD22 ' A' ' 19' ' ' LEU . 26.7 t -56.67 -55.33 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 52.41 111.117 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.0 mt-10 -65.61 -27.17 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 62.1 110.851 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -40.15 75.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.911 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -69.24 -48.56 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.008 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.85 -47.16 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 63.24 110.79 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.7 m-85 -53.39 -34.58 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 73.35 110.955 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 142' ' ' ILE . 3.1 m -59.13 -35.11 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 54.31 110.886 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.039 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.17 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.54 110.866 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 46' ' ' ILE . 22.0 t -57.98 -36.86 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 63.31 111.003 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.12 -28.57 64.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.13 110.766 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -74.2 -50.29 19.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.942 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 76' ' ' GLU . 15.5 mt -59.54 -45.75 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.311 -0.404 . . . . 61.15 111.134 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -43.39 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.989 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.44 6.78 39.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.35 111.541 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.889 . . . . 62.14 110.825 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.571 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 53.14 111.228 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -65.49 149.77 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 72.33 110.549 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -106.86 119.63 39.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.984 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.5 m-85 -107.66 108.59 19.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 74.31 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.33 98.37 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 75.53 111.025 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.786 HD22 HD13 ' A' ' 159' ' ' LEU . 39.0 mt -88.44 106.59 18.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 62.05 110.819 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.19 102.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 74.51 110.959 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.13 123.17 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 63.42 111.273 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -122.32 150.36 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 176.95 39.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 53.12 112.476 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -96.96 135.74 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.33 111.208 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 114.46 1.85 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.956 -0.64 . . . . 55.31 112.629 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.6 12.58 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 70.12 112.424 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 11' ' ' ALA . 29.1 m -98.61 -26.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 42.41 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.8 15.33 31.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.05 112.603 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' H ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.343 . . . . 72.24 110.735 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -81.56 -31.75 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 64.42 110.849 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 42.42 111.285 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.963 HD22 HG13 ' A' ' 152' ' ' VAL . 74.4 mt -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 75.22 111.069 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.808 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -62.71 -58.6 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.358 -0.383 . . . . 64.21 111.01 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -58.7 -28.59 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.265 -0.425 . . . . 75.42 111.072 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -58.91 -48.15 82.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 61.21 110.795 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 tp -75.87 -10.46 59.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 72.5 111.221 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.42 -69.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 73.14 111.337 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 63.01 111.198 -179.597 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.757 0.313 . . . . 74.23 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' HB2' HD12 ' A' ' 52' ' ' LEU . 22.6 ptt180 -111.75 138.69 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 45.31 110.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -133.23 146.43 51.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.813 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -96.33 120.25 36.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.004 -0.544 . . . . 63.14 110.773 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.98 176.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.406 . . . . 64.22 111.29 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 t -122.41 100.84 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 70.33 110.887 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.582 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -116.49 132.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.152 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.87 35.77 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.15 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.29 35.59 79.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 74.43 112.547 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -147.38 110.31 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 73.32 110.871 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -59.03 119.93 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.754 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.31 148.84 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.051 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -85.77 137.96 32.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 72.13 110.745 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 53' ' ' LEU . 21.1 mt -107.91 76.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.991 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.92 90.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.837 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.808 HG21 HG23 ' A' ' 20' ' ' THR . 27.5 mm -77.2 112.74 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 70.01 111.038 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.956 HD21 ' CE1' ' A' ' 71' ' ' TYR . 1.1 tm? -106.27 114.52 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.31 110.427 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -112.82 135.41 53.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -80.31 -173.72 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 111.265 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.724 0.297 . . . . 73.12 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -53.79 -47.01 71.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 64.52 110.967 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -28.77 23.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.77 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.586 ' O ' HG23 ' A' ' 74' ' ' THR . 13.3 tp60 -82.54 -46.35 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 72.11 110.61 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.956 ' CE1' HD21 ' A' ' 56' ' ' LEU . 53.6 m-85 -56.69 -38.69 72.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.312 -0.404 . . . . 73.31 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.438 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -68.76 -53.01 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 54.54 110.206 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -64.72 -16.74 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.826 -0.624 . . . . 75.45 111.14 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.7 p -103.1 -0.77 30.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.375 -0.375 . . . . 73.53 111.126 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.43 157.61 15.01 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.549 -0.834 . . . . 71.53 112.947 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.8 -18.38 17.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 62.44 110.984 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.78 175.77 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.1 112.376 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CE1' HG23 ' A' ' 100' ' ' ILE . 30.1 m-85 -141.36 140.35 33.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 72.3 111.148 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -119.95 121.73 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 60.45 110.791 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 50.9 m -96.08 114.03 25.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 75.04 110.916 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.4 113.73 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 63.15 111.047 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.3 p90 -128.1 143.68 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 124.75 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 62.21 111.072 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -58.54 -31.12 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 74.34 110.944 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 122' ' ' ALA . 3.2 m120 -67.63 -17.56 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 62.33 111.035 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -120.3 110.31 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.406 -0.361 . . . . 62.41 110.808 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 125' ' ' VAL . 4.4 m -69.43 -25.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 75.03 111.153 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -61.4 -42.27 98.45 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.429 -0.35 . . . . 63.5 110.663 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -32.39 73.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.752 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.31 -51.99 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 63.34 110.773 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.17 -27.82 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 13.9 m-20 -70.6 -34.03 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 65.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 30.6 mm -60.03 -26.82 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 63.54 110.947 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -74.68 -55.46 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 72.44 110.762 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -65.87 -28.66 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.11 111.063 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.5 m-85 -58.99 -36.66 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 63.23 110.9 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -66.08 -35.82 81.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 71.34 110.706 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.95 -30.42 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -76.19 -37.01 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 78' ' ' PHE . 47.4 mt -70.01 -46.82 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.981 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -57.22 -34.57 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.967 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -58.94 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.973 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.9 t -62.12 -52.23 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.967 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -26.49 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t0 64.16 42.61 5.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 64.51 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -164.91 154.78 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -41.03 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.93 88.49 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.57 153.62 47.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 63.12 111.154 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.77 104.18 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 71.43 112.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -153.24 169.2 23.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.33 148.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 63.12 111.213 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 82' ' ' PHE . 3.6 tp -112.02 110.54 20.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.51 110.812 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.724 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.3 t -98.96 154.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.234 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.05 80.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 60.45 112.401 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.13 167.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 75.52 111.096 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.488 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 61.05 63.43 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.958 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 t -105.47 5.7 31.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.4 111.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.28 -29.79 8.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.823 0.344 . . . . 75.52 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.488 HD12 ' HG2' ' A' ' 117' ' ' LYS . 28.5 mt -55.51 150.14 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 55.32 111.056 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.63 35.92 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 60.24 111.156 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.453 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . -143.2 52.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.747 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -74.8 139.22 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.925 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.6 p -111.86 -38.45 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.765 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 87' ' ' THR . 77.5 t -104.96 97.91 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.44 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.43 159.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.107 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 t -58.22 -48.49 80.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.315 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.31 -34.42 33.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 73.32 111.233 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.64 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.51 -34.58 41.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 65.42 110.852 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.696 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.92 -46.53 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.691 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.66 -45.8 60.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.637 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.77 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.521 . . . . 54.24 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -40.96 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.827 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -73.58 -30.35 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 54.32 110.729 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.435 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 3.8 m-30 -77.31 -24.57 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 73.45 111.047 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.87 17.53 65.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 53.31 112.639 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -114.71 156.94 44.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 64.53 111.538 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.11 155.5 61.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.541 2.161 . . . . 63.0 112.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -123.21 117.47 25.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.632 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 158' ' ' THR . 3.4 mp -122.46 152.41 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.137 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -116.87 133.29 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.773 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 35.1 p -141.91 173.25 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 65.52 111.248 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.17 118.94 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 32.15 110.67 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HB2' ' HG ' ' A' ' 19' ' ' LEU . . . -72.44 -21.59 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.516 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -82.96 -52.47 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 71.13 111.174 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -87.19 -19.24 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 65.15 111.397 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 152' ' ' VAL . 2.5 tmm_? 63.13 63.68 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.946 0.403 . . . . 74.35 110.659 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.97 117.74 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 71.25 111.022 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 67.91 11.54 60.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.796 -0.716 . . . . 73.34 113.035 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.963 HG13 HD22 ' A' ' 19' ' ' LEU . 41.2 t -56.92 -41.31 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-O 120.84 0.352 . . . . 52.21 111.298 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.6 mt-10 -69.74 -30.53 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -55.68 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 61.04 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.724 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -52.74 -42.45 64.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 72.12 111.379 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.11 -50.77 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.2 m-85 -57.24 -25.54 59.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.14 111.081 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 142' ' ' ILE . 6.5 m -57.5 -50.59 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 73.35 111.115 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.786 HD13 HD22 ' A' ' 6' ' ' LEU . 1.1 mt -53.87 -38.08 64.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.832 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 46' ' ' ILE . 39.9 t -58.41 -46.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.946 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.19 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.2 110.735 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.14 -51.01 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 72.2 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.555 HD11 HD22 ' A' ' 159' ' ' LEU . 55.1 mt -59.9 -44.37 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.029 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 72.02 110.799 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -104.12 25.27 10.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.037 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.256 -0.878 . . . . 74.0 111.031 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 72.31 111.162 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.89 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.749 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.3 113.01 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -102.92 129.02 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.025 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 11.7 mmtm -102.42 106.06 16.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.79 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.1 mt -95.54 109.4 21.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.143 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 6.1 t -88.38 102.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 54.54 110.887 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.91 129.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 72.2 111.268 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.3 m -138.2 154.5 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.042 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -171.15 -163.95 26.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 44.05 112.486 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.29 22.31 9.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.702 0.287 . . . . 61.11 111.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.19 -62.54 1.75 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.814 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.19 38.31 3.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 60.45 112.833 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 11' ' ' ALA . 32.6 m -111.07 -27.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 71.01 111.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.94 26.23 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 74.54 112.494 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -65.03 -32.9 74.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.774 0.321 . . . . 72.22 110.816 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -74.21 -30.57 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 53.32 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.18 -52.7 31.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.125 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG21 ' A' ' 81' ' ' VAL . 98.8 mt -57.21 -30.35 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.107 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.66 HG23 HG21 ' A' ' 55' ' ' ILE . 85.1 m -65.83 -48.25 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 41.13 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.615 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.6 mp -76.29 -31.37 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.765 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -61.21 -33.5 73.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 64.41 110.797 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -76.83 -48.37 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.938 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -72.28 -69.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.228 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 . . . . . 0 CA--C 1.539 0.52 0 CA-C-N 116.393 -0.367 . . . . 72.03 110.685 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.615 ' OH ' HD11 ' A' ' 21' ' ' ILE . 5.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 74.42 110.741 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' HD12 ' A' ' 52' ' ' LEU . 52.2 mtm180 -138.43 106.4 5.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.973 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 52' ' ' LEU . 23.2 tttt -110.17 145.95 36.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.789 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -108.09 120.04 41.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.75 175.87 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 74.1 111.248 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.78 101.22 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 75.23 111.053 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 39.0 mt -115.83 137.33 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.087 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.63 16.98 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 51.34 111.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.69 -19.26 49.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.634 -0.793 . . . . 54.33 112.917 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.47 154.51 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 72.45 111.05 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -90.02 130.31 36.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 73.32 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 m -150.48 147.03 27.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 60.43 111.053 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -80.3 159.12 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 62.24 110.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -127.27 91.19 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -79.8 100.92 8.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.805 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.75 ' CD1' HD12 ' A' ' 6' ' ' LEU . 11.5 mm -85.26 108.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 70.12 111.213 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' A' ' 71' ' ' TYR . 20.5 tp -90.26 123.51 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 65.12 110.664 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -113.46 86.34 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.058 -0.519 . . . . 73.22 110.895 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 71' ' ' TYR . 26.2 p -75.48 179.45 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.0 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 42.01 111.163 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.729 0.3 . . . . 72.23 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -53.02 -47.08 68.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 75.4 111.059 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -40.52 85.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.786 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.874 ' O ' HG23 ' A' ' 74' ' ' THR . 4.8 tp60 -58.55 -42.32 87.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.819 ' CD1' HD21 ' A' ' 56' ' ' LEU . 19.4 m-85 -59.39 -36.11 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 75.51 110.777 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.872 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.9 mtt -67.81 -41.99 82.26 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.594 -0.521 . . . . 63.33 109.594 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HG2' HG13 ' A' ' 103' ' ' VAL . 50.1 mtm180 -73.88 -11.84 60.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 61.34 111.007 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 70' ' ' GLN . 67.1 p -99.49 -30.5 12.13 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.958 0.409 . . . . 73.52 110.717 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -87.32 155.97 27.73 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.868 -0.682 . . . . 62.42 113.998 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.92 1.32 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.401 -0.4 . . . . 72.12 110.614 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.3 140.73 5.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.132 -0.556 . . . . 45.51 111.947 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 100' ' ' ILE . 9.7 m-85 -112.89 153.82 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 73.33 111.427 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.56 112.96 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.629 . . . . 74.53 110.817 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.731 ' HB3' HD12 ' A' ' 93' ' ' ILE . 34.5 m -91.38 103.1 15.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 52.1 110.81 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.2 p -112.16 130.99 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 71.12 111.146 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.7 p90 -142.27 162.41 35.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 63.42 110.811 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.27 123.7 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 53.53 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.5 pt -60.56 -24.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 72.22 111.086 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.58 -30.7 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 43.21 110.809 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -107.96 112.62 25.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.401 ' HA ' HG21 ' A' ' 125' ' ' VAL . 37.3 m -70.09 -27.18 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.94 -30.06 70.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.606 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.462 ' HB3' HG11 ' A' ' 14' ' ' VAL . 14.2 m -71.79 -40.25 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.567 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.71 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.19 -29.32 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.34 110.932 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -75.97 -31.59 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 54.43 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.4 mm -60.65 -30.48 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 73.03 110.945 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.73 -55.38 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.906 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -65.55 -28.46 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 70.24 111.174 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 100' ' ' ILE . 2.8 m-85 -58.87 -36.08 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 73.31 111.029 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 1.9 ttt180 -65.11 -35.29 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.761 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.88 -29.97 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -51.53 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 51.01 110.888 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 96' ' ' TYR . 2.8 mp -61.35 -41.61 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.35 -34.31 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.93 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -71.81 -57.79 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.604 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.872 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.5 t -56.55 -53.9 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 72.12 110.995 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -63.74 -24.16 67.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 71.21 110.918 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 t0 63.97 40.92 6.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 63.31 110.755 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 144.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 44.45 110.878 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.93 -39.84 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 71.13 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -77.79 94.52 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 104' ' ' LYS . 34.1 m -136.42 154.74 77.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.175 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 101.05 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 73.34 112.338 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.6 mtm -134.31 169.36 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.73 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 159' ' ' LEU . 12.6 t -144.99 155.79 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 73.22 111.179 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.1 tp -130.77 108.6 9.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.25 111.0 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.862 HG21 ' HB1' ' A' ' 155' ' ' ALA . 37.1 t -111.34 141.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.11 111.149 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.1 84.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.801 -0.714 . . . . 64.54 112.435 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.81 165.17 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.44 110.986 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 60.77 74.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 t -107.34 -22.79 12.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 32.35 111.138 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.5 -29.79 52.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 63.45 111.154 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.22 152.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 73.05 111.183 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.71 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.304 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.04 66.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.676 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -86.12 109.15 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.782 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -80.84 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.574 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 87' ' ' THR . 39.5 t -77.18 109.28 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 75.34 110.902 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.43 157.89 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.34 111.052 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.7 p -66.5 -38.67 87.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 64.22 111.014 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -56.37 -43.42 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.02 -37.84 84.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.09 -36.53 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.3 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.2 -41.55 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 71.22 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.612 HD11 ' CE1' ' A' ' 137' ' ' TYR . 17.9 tp -73.33 -51.41 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.41 -44.95 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.167 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -41.63 87.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.845 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -73.23 -38.0 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.685 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.612 ' CE1' HD11 ' A' ' 133' ' ' LEU . 2.7 m-30 -63.04 -25.34 68.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 73.42 111.009 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.78 12.96 60.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 70.42 112.672 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.64 154.91 44.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.307 . . . . 64.13 111.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.48 158.71 53.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.575 2.183 . . . . 74.52 112.333 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -122.23 116.37 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 1.151 HD11 HG21 ' A' ' 158' ' ' THR . 2.6 mp -118.24 153.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.13 110.955 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -119.9 120.56 36.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.41 -0.359 . . . . 71.34 110.96 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 67.0 p -132.23 170.17 15.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.2 p -141.3 112.24 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 75.5 110.804 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -63.79 -25.21 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.41 111.544 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.17 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 72.43 111.338 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -70.16 -21.58 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 54.14 111.312 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.64 72.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 74.15 110.662 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 144' ' ' THR . 2.7 tt0 -126.85 122.08 33.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 53.12 110.857 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.71 17.01 48.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 75.35 112.908 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 149' ' ' ARG . 24.2 t -52.23 -55.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.832 0.348 . . . . 72.24 111.044 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.0 OUTLIER -62.9 -27.57 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.749 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -49.39 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.949 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.862 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.68 -45.86 88.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 72.42 111.28 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.45 -51.91 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 53.12 111.135 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 20.9 m-85 -54.74 -32.37 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 74.22 111.035 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' THR . . . . . 1.151 HG21 HD11 ' A' ' 142' ' ' ILE . 3.3 m -57.84 -43.65 86.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 64.34 110.897 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.509 HD13 HG23 ' A' ' 112' ' ' VAL . 32.2 tp -59.0 -42.46 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.666 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.7 t -51.7 -56.55 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.021 -0.536 . . . . 53.45 111.259 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -34.96 71.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.191 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.73 -49.47 62.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 74.12 111.081 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.415 HD11 ' HG ' ' A' ' 159' ' ' LEU . 78.2 mt -55.86 -35.35 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.385 -0.37 . . . . 52.11 111.169 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -30.61 69.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.691 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.27 27.53 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.31 111.064 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.275 -0.869 . . . . 75.44 110.972 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.838 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.784 0.326 . . . . 71.12 111.251 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.2 149.77 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.821 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.02 115.32 30.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.1 120.53 42.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 74.15 111.072 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' CB ' ' HA2' ' A' ' 75' ' ' GLY . 2.8 mmtm -101.83 96.44 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.824 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.5 mt -87.82 116.14 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 70.2 111.126 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 71' ' ' TYR . 43.7 t -94.89 106.41 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.034 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 56' ' ' LEU . 7.6 p -79.33 147.68 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 72.34 111.307 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -154.91 148.33 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 62.31 111.073 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . 139.98 74.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.654 -0.784 . . . . 72.14 112.796 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . 55.9 -163.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.693 0.282 . . . . 74.22 111.197 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 0.03 6.63 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.757 -0.735 . . . . 74.35 113.136 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -10.72 10.22 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.691 -0.766 . . . . 70.2 112.71 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 11' ' ' ALA . 26.1 m -56.56 -31.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 73.51 111.234 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.9 24.06 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 62.33 112.373 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 8' ' ' VAL . 3.7 pttm -59.04 -32.59 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 61.12 110.859 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -34.46 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.846 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.09 -58.13 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD21 HG11 ' A' ' 81' ' ' VAL . 3.2 pp -56.52 -26.38 54.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.934 HG23 HG21 ' A' ' 55' ' ' ILE . 93.7 m -69.68 -58.35 4.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 72.13 110.788 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' OH ' ' A' ' 40' ' ' TYR . 49.6 mm -57.52 -33.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.007 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -58.93 -44.98 91.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 71.01 110.756 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.58 -5.74 48.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 74.5 111.41 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.62 -70.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 72.52 111.042 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 74.42 111.382 -179.774 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.655 ' OH ' HD11 ' A' ' 21' ' ' ILE . 6.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.854 0.359 . . . . 72.34 111.068 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -145.73 108.5 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.926 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -117.45 145.93 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.1 140.78 30.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.082 -0.508 . . . . 62.14 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 53' ' ' LEU . 31.2 m -150.93 158.75 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.066 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.65 100.87 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.058 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -123.21 134.44 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.996 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.5 32.86 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.86 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.46 26.81 62.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 74.13 112.574 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -143.16 110.56 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 72.23 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 127.72 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.869 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 2' ' ' THR . 63.8 m -147.77 143.21 27.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.42 111.028 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.838 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.44 147.02 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.606 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 44' ' ' VAL . 34.0 mt -117.22 103.03 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 72.24 111.006 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -96.12 99.86 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.81 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.934 HG21 HG23 ' A' ' 20' ' ' THR . 10.3 mm -86.07 108.53 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 72.24 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.737 ' O ' HG12 ' A' ' 8' ' ' VAL . 2.1 tt -85.24 127.28 34.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 43.34 110.981 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 56' ' ' LEU . 30.6 t0 -109.59 88.22 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.718 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.571 ' CG2' HD22 ' A' ' 56' ' ' LEU . 12.9 p -80.55 -176.3 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.013 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 60.41 111.185 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.787 0.327 . . . . 75.45 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -55.14 23.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.394 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -48.92 -34.94 13.81 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.199 0.524 . . . . 73.02 110.296 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -60.63 -62.43 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.431 -0.804 . . . . 73.32 111.606 179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.9 m-85 -49.1 -27.72 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.12 -0.945 . . . . 74.44 111.092 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.842 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -73.98 -42.55 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.122 0.487 . . . . 72.21 109.707 178.524 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 5.9 mtp-105 -81.65 -18.7 43.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.628 -0.714 . . . . 64.34 111.591 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 43.7 p -97.68 -16.12 20.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.736 0.303 . . . . 75.11 111.052 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 5' ' ' LYS . . . -95.8 162.32 23.12 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.627 -0.797 . . . . 42.31 113.167 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -104.74 -15.2 15.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 75.45 111.046 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.61 -173.28 21.24 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.871 -0.681 . . . . 61.31 112.273 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 100' ' ' ILE . 82.4 m-85 -151.76 129.36 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.21 111.043 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.877 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -114.86 120.53 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 62.31 110.842 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.2 m -94.65 109.71 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 HD21 ' A' ' 19' ' ' LEU . 39.4 t -105.01 113.14 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.165 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.638 ' CD1' HD11 ' A' ' 113' ' ' LEU . 15.2 p90 -125.4 139.99 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.771 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.16 123.73 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 64.2 111.085 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.4 pt -58.74 -26.5 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 72.43 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 17.6 t-20 -76.89 -30.28 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.897 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.1 109.9 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.605 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -70.42 -20.68 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.21 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.1 -46.55 80.63 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.822 0.344 . . . . 65.4 110.652 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.94 -31.01 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 74.35 110.727 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.55 -53.01 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 64.11 110.87 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.39 -28.81 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 65.22 111.1 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -67.74 -31.51 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 71.41 110.962 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.5 mm -61.46 -28.36 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 74.41 110.913 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -74.13 -55.34 6.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.822 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -28.62 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 44.01 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.0 m-85 -64.98 -47.01 79.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 65.32 110.831 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -37.14 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.945 -0.57 . . . . 74.45 110.95 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.06 -36.16 83.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 71.03 110.984 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -32.98 73.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 72.34 111.003 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.445 HG23 ' CE1' ' A' ' 78' ' ' PHE . 34.2 mt -74.03 -44.44 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.117 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -41.55 65.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 75.44 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -58.85 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.842 HG11 ' HB2' ' A' ' 72' ' ' MET . 60.1 t -56.65 -64.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.074 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.12 -25.33 63.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.729 . . . . 71.24 110.935 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t0 61.59 45.77 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 62.34 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 t -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 71.11 110.838 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -81.49 -33.46 31.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.25 110.956 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.48 85.41 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.004 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' CG2' ' HE3' ' A' ' 111' ' ' MET . 32.0 m -119.14 153.63 53.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 52.11 111.006 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.23 109.05 2.63 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.563 2.175 . . . . 74.32 112.489 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.645 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.5 ptp -156.37 168.52 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.2 110.885 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 140' ' ' PRO . 22.2 t -145.57 153.82 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.21 111.327 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.638 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.2 tp -115.75 116.57 28.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.4 t -113.21 146.28 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 65.44 111.24 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.28 85.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.861 -0.685 . . . . 75.55 112.381 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.521 HD21 ' HA ' ' A' ' 116' ' ' ASN . 0.1 OUTLIER -62.29 175.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 60.51 111.037 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.503 ' O ' HD11 ' A' ' 84' ' ' ILE . 2.7 tttt 60.48 47.93 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.03 111.042 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.4 t -105.94 19.71 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 53.04 111.267 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.97 -15.11 11.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.535 -0.302 . . . . 63.43 111.752 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.429 HD13 ' CE ' ' A' ' 117' ' ' LYS . 0.7 OUTLIER -89.02 170.57 10.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 70.42 111.101 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.77 50.67 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 55.51 111.162 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -148.12 72.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.012 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.71 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -102.12 106.89 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.785 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -83.58 -48.57 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.615 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 87' ' ' THR . 61.0 t -94.15 95.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 72.2 110.778 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.94 157.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.178 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.11 -39.5 86.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 51.44 111.028 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -53.01 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.12 -45.11 71.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 71.2 111.091 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.92 -33.27 68.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 61.04 111.158 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -42.78 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.925 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.67 -35.77 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.946 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.28 -51.37 17.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.06 -46.56 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.092 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -28.7 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.34 111.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -73.31 -37.54 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 44.5 110.755 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -76.28 -22.16 55.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 75.1 111.021 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.59 61.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 44.14 112.508 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.645 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -110.92 156.86 40.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 74.33 111.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.638 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.4 Cg_endo -71.35 153.93 61.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.541 2.161 . . . . 74.23 112.41 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -123.63 104.29 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.704 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.91 HD11 HG21 ' A' ' 158' ' ' THR . 4.1 mp -104.33 150.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.51 129.92 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 60.41 110.736 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -143.89 -177.37 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.25 111.047 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.601 ' HB3' HG22 ' A' ' 148' ' ' THR . 1.5 t -144.78 124.8 13.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 62.02 110.738 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -76.82 -14.49 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 54.44 111.514 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.31 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 64.31 111.373 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 145' ' ' SER . 1.2 t -111.87 -24.64 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 73.42 111.288 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HA ' HG21 ' A' ' 152' ' ' VAL . 1.4 tmm_? 72.22 45.62 0.37 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 71.34 110.673 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.18 117.2 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.02 111.232 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.25 11.22 58.69 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.999 -0.62 . . . . 70.14 113.338 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 149' ' ' ARG . 90.1 t -58.57 -36.53 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.924 0.362 . . . . 73.4 111.216 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.4 mt-10 -72.77 -32.83 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.03 110.915 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -52.63 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.1 -52.36 44.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.414 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.689 ' CD2' HD13 ' A' ' 23' ' ' LEU . 26.0 m-85 -59.24 -51.25 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 72.12 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.6 m-85 -55.25 -32.0 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.967 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.91 HG21 HD11 ' A' ' 142' ' ' ILE . 4.5 m -58.71 -44.37 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 64.25 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.877 HD22 HD12 ' A' ' 79' ' ' LEU . 35.3 tp -60.68 -41.32 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.058 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' ILE . 60.8 t -54.69 -43.68 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 71.21 111.086 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -70.55 -27.08 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.7 -48.04 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.11 111.125 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.411 HD11 ' HG ' ' A' ' 159' ' ' LEU . 61.7 mt -63.01 -38.87 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.357 -0.383 . . . . 72.41 111.202 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.9 41.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.3 -29.49 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 53.31 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.263 -0.875 . . . . 75.02 110.857 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.674 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.988 0.423 . . . . 51.2 111.346 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 146.66 37.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.804 -0.635 . . . . 72.45 110.842 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.12 118.92 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.736 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.34 117.35 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.162 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -84.48 106.92 16.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 74.41 110.747 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.1 mm? -96.62 95.29 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 74.02 110.869 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.54 108.24 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 70.53 111.112 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.35 140.12 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.92 -177.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 70.43 111.062 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 129.84 157.61 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 33.31 112.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -55.83 151.15 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 44.4 111.022 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.75 -24.55 13.17 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.807 -0.711 . . . . 43.21 112.733 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.04 65.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.652 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.8 m -140.8 16.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.621 0.248 . . . . 73.23 111.462 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . 54.36 25.71 34.62 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.726 -0.749 . . . . 62.45 112.675 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -44.86 91.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 72.35 110.838 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -69.22 -25.26 64.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 54.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.32 -50.76 70.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 72.2 111.326 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.13 -34.58 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.639 HG21 ' HB2' ' A' ' 57' ' ' ASP . 4.8 m -57.64 -56.3 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.188 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.79 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.291 -0.413 . . . . 54.42 110.783 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.45 -50.81 57.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 65.13 110.857 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 23' ' ' LEU . 2.3 tm? -65.24 -52.07 56.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 64.52 110.822 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.19 -56.43 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 116.163 -0.471 . . . . 64.15 110.152 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.864 0.364 . . . . 72.44 110.736 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -146.3 132.07 19.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.15 110.836 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.898 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.624 ' HG3' HD22 ' A' ' 52' ' ' LEU . 31.7 tt0 -104.24 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 62.35 110.727 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.17 177.69 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.264 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.76 101.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.33 111.001 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.605 ' CD1' HG11 ' A' ' 160' ' ' VAL . 31.3 mt -115.33 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 60.69 34.04 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.852 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.03 28.24 68.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.508 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.97 114.29 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 55.33 110.938 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -62.31 122.47 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.9 m -145.25 150.8 37.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.842 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.674 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -83.81 147.83 27.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 46' ' ' ILE . 62.4 mt -124.0 95.55 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.758 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 96.63 9.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.921 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.663 HD13 ' HB2' ' A' ' 6' ' ' LEU . 11.7 mm -89.68 108.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 74.4 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -93.51 130.59 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.508 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.639 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.3 t70 -115.32 105.41 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 61.14 110.901 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 p -75.49 -174.44 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.762 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 70.45 111.176 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 63.6 mtp . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.695 0.283 . . . . 62.31 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -50.82 -37.86 45.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.829 0.347 . . . . 72.23 110.499 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -33.81 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 71.25 110.296 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 74' ' ' THR . 4.1 tp60 -69.82 -41.29 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 75.23 110.36 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' HD11 ' A' ' 56' ' ' LEU . 14.1 m-85 -58.57 -39.1 79.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.2 mtt -63.5 -37.03 85.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 61.03 110.335 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -81.17 -10.15 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.754 -0.657 . . . . 71.22 111.052 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 70' ' ' GLN . 42.7 p -102.07 -20.62 14.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.433 -0.349 . . . . 54.33 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -103.7 169.18 17.89 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.607 -0.806 . . . . 35.02 113.025 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.04 -15.18 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.7 0.286 . . . . 71.5 111.1 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.69 -176.86 19.06 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.768 -0.729 . . . . 54.34 112.356 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 100' ' ' ILE . 57.4 m-85 -154.65 140.7 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 73.13 110.993 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD22 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -119.61 127.27 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.865 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 21.8 m -97.71 113.71 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.43 110.91 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.09 117.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.89 153.79 45.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.522 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.72 123.62 41.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 62.51 111.086 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -60.35 -21.83 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.14 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.449 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.7 OUTLIER -83.3 -31.36 26.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 71.35 110.792 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.97 111.79 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.956 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -72.45 -28.5 62.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.858 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -61.64 -40.09 93.65 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.596 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.6 m -61.38 -31.35 71.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.776 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 125' ' ' VAL . 9.6 t80 -60.47 -52.87 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.828 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.17 -28.07 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 71.11 110.929 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 13.9 m-20 -71.69 -32.35 67.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 75.11 110.834 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -60.65 -30.93 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.14 110.76 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.24 -55.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.936 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -66.45 -30.12 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.32 111.064 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.419 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -59.4 -44.71 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 72.24 110.874 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.15 -33.58 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.54 -32.71 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.952 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -39.93 81.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 111' ' ' MET . 53.7 mt -65.85 -46.66 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.023 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -32.98 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 64.12 110.978 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -58.63 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.822 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 72' ' ' MET . 36.8 t -63.78 -53.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.019 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.964 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.3 t70 63.84 44.93 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 43.41 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -164.31 151.9 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.52 -37.11 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.03 89.79 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 44.24 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.35 153.31 50.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.04 109.25 2.51 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.583 2.189 . . . . 60.3 112.342 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.782 ' HG3' HG21 ' A' ' 139' ' ' ILE . 7.5 ptp -158.5 169.08 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.947 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.3 t -145.23 149.96 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.165 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 80' ' ' CYS . 7.9 tp -109.08 108.95 19.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.54 110.778 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -100.12 143.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.249 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.77 85.42 0.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.828 -0.701 . . . . 52.52 112.374 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.518 HD21 ' HB2' ' A' ' 146' ' ' ALA . 14.3 t-20 -61.61 168.62 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 62.2 111.017 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER 60.98 61.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 64.34 111.005 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.2 t -101.85 3.62 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 62.31 111.365 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -110.59 -18.6 13.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.663 0.268 . . . . 71.35 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 120' ' ' LEU . 7.6 mt -50.71 175.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 73.04 111.096 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.47 23.65 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 62.54 111.402 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.84 60.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 64.25 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -84.26 144.11 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 53.31 110.989 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -111.35 -47.19 3.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.54 110.78 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 90' ' ' PHE . 44.0 t -94.54 106.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.31 163.41 15.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 64.5 110.921 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 m -59.35 -30.3 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.056 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -56.46 -48.7 76.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -59.41 -42.95 92.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 73.01 111.069 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.51 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 64.55 111.255 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -36.92 82.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 70.43 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.0 tp -74.37 -51.47 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.98 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.18 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.31 111.23 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.985 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -72.84 -39.15 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.627 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.404 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.3 m-85 -70.65 -23.32 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 74.54 110.943 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.75 16.54 63.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 62.54 112.566 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.782 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.8 pt -110.79 156.8 40.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 65.23 111.476 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.458 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.9 Cg_endo -71.54 156.35 58.07 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.609 2.206 . . . . 61.05 112.274 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -127.78 118.29 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.936 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -119.9 150.94 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.022 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -118.04 128.86 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.42 110.625 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.1 p -138.31 174.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 65.03 111.227 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 124.75 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.43 110.776 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -77.06 -8.67 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 61.3 111.491 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -97.36 -54.7 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 62.34 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -85.92 -21.58 27.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 72.12 111.284 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.79 66.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.401 . . . . 72.33 110.659 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.65 103.38 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.24 111.074 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 144' ' ' THR . . . 78.13 16.49 79.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.797 -0.716 . . . . 73.2 112.974 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.15 -54.17 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 120.827 0.346 . . . . 61.23 111.129 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 3.7 mt-10 -62.65 -30.15 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.07 -54.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.957 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -50.12 -39.8 44.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 72.21 111.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -72.75 -46.73 51.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.71 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 m-85 -57.7 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 61.23 111.045 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 142' ' ' ILE . 85.9 m -59.68 -44.02 93.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.992 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 6' ' ' LEU . 21.4 tp -66.44 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 65.01 111.125 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 46' ' ' ILE . 44.8 t -56.59 -39.7 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 60.12 111.101 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -72.17 -29.1 63.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.3 110.804 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.53 -50.81 23.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 63.02 110.967 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.54 -37.22 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.168 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.794 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -78.15 -29.26 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.849 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.252 -0.88 . . . . 72.21 110.862 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.593 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.955 0.407 . . . . 74.22 111.299 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.94 143.02 57.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 74.43 110.784 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.49 123.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 73.25 110.677 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -110.33 139.21 45.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 72.2 111.075 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 99.26 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 72.23 110.688 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -93.12 97.87 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.777 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 HD12 ' A' ' 56' ' ' LEU . 43.6 t -80.18 137.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 74.12 111.038 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.22 146.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 64.34 111.417 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.9 m -125.66 164.93 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 50.31 110.708 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.73 162.28 30.3 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.496 -0.859 . . . . 60.03 112.733 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.21 22.23 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 64.12 111.197 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.34 66.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 73.41 112.754 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.7 40.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.556 -0.831 . . . . 75.1 112.81 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 89' ' ' SER . 27.2 m -119.72 -7.06 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.825 0.306 . . . . 73.12 111.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.18 40.48 82.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 74.02 112.549 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -31.07 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 71.52 110.889 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -69.17 -31.32 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 53.11 110.711 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.44 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.146 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 HG13 ' A' ' 152' ' ' VAL . 0.2 OUTLIER -51.38 -41.47 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.118 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.697 HG23 HG21 ' A' ' 55' ' ' ILE . 86.2 m -66.92 -54.06 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 44.31 111.071 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.37 -27.45 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.237 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.2 -42.79 91.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 72.22 110.77 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 tp -73.65 -21.41 60.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 74.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 mm -84.53 -70.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 111.931 0.345 . . . . 61.14 111.931 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.579 -0.282 . . . . 75.3 111.597 -179.101 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.806 0.336 . . . . 71.15 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -147.6 159.49 43.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.1 110.892 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -158.16 147.1 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.86 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -102.21 123.67 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.856 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 m -134.89 -178.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 73.53 111.126 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.9 t -121.11 100.8 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.078 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.734 ' CD1' HG21 ' A' ' 160' ' ' VAL . 54.6 mt -116.39 136.85 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 62.21 111.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.85 33.09 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 70.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.6 28.46 67.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 54.12 112.45 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -141.89 113.97 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 51.22 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.9 m -62.35 120.42 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 54.43 110.837 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.2 m -143.93 147.34 33.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.791 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.45 146.88 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.923 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 60.7 mt -125.41 93.83 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.04 110.834 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 98.84 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.784 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.697 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -77.04 110.77 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.04 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.1 tm? -89.45 111.95 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.093 -0.503 . . . . 73.4 111.021 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.78 106.31 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.858 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -76.14 -173.76 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 60.43 111.052 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 3.1 mmt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.862 0.363 . . . . 43.31 110.385 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 71.12 110.687 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.04 -29.39 70.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 74.13 110.481 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' THR . 6.8 tp60 -74.61 -49.48 21.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 72.13 110.709 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.819 ' CD1' HD11 ' A' ' 56' ' ' LEU . 97.6 m-85 -50.94 -35.09 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.905 0.383 . . . . 74.21 110.791 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.42 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.8 mtt -73.85 -43.38 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 71.33 110.466 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -75.5 -16.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.965 -0.561 . . . . 75.22 111.038 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 70' ' ' GLN . 79.3 p -101.31 -8.74 21.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.882 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.86 166.0 14.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.767 . . . . 61.14 112.661 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.8 -12.46 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.654 0.264 . . . . 72.35 111.146 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.6 -178.68 26.59 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.774 -0.727 . . . . 72.34 112.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 100' ' ' ILE . 64.4 m-85 -153.1 142.83 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 75.0 111.231 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.01 129.73 55.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.733 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 76.6 m -103.57 112.62 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 51.14 110.897 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.18 106.3 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.54 111.032 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.7 151.63 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.484 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.77 42.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.325 -0.398 . . . . 71.13 111.162 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.6 pt -67.81 -13.48 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.44 111.215 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -28.6 14.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.414 -0.357 . . . . 44.41 110.54 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.81 107.29 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 63.4 110.83 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -64.43 -25.62 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.34 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -65.49 -45.26 84.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 63.41 111.094 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' HG12 ' A' ' 14' ' ' VAL . 77.8 p -57.03 -44.73 83.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 53.22 111.02 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 19.7 t80 -59.48 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.878 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.85 -30.96 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.407 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 23.6 m-20 -72.23 -31.34 65.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 65.42 110.83 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -60.51 -28.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 72.53 110.687 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -72.27 -55.36 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.806 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.31 -29.02 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.069 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.23 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.394 . . . . 74.5 110.96 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -33.63 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 75.51 110.717 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.21 -29.77 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 72.53 111.015 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -43.56 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.787 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 109' ' ' VAL . 71.0 mt -64.13 -51.7 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.954 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.72 -37.4 63.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 63.51 111.287 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -64.1 -56.24 16.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 74.22 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 72' ' ' MET . 42.6 t -62.92 -52.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 62.24 110.975 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -65.22 -26.1 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.74 44.13 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 61.5 110.81 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -169.2 141.32 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 75.21 110.809 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.27 -28.02 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.031 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.28 84.58 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 74.13 111.217 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.479 ' CG2' ' HE3' ' A' ' 111' ' ' MET . 18.5 m -112.09 151.65 43.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.921 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.3 Cg_endo -71.26 101.1 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.45 2.1 . . . . 64.44 112.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.506 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.5 ptp -150.58 169.01 22.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 74.51 111.076 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.0 t -142.13 149.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.062 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.2 tp -111.14 115.33 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.866 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 155' ' ' ALA . 8.4 t -104.4 160.55 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 51.21 111.195 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -127.52 80.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.803 -0.713 . . . . 73.02 112.498 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.17 171.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 71.41 111.002 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.603 ' HE2' HD11 ' A' ' 120' ' ' LEU . 1.3 mtpt 62.48 62.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 72.0 111.013 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.87 -22.52 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.264 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.66 -70.99 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.859 0.361 . . . . 54.43 111.168 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.681 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -48.19 172.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 73.04 111.354 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.34 47.21 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.47 71.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.2 111.059 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.686 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.4 ptp85 -99.98 145.94 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.943 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.6 p -108.08 -48.79 3.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.639 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.56 104.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 74.12 110.913 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.85 161.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 71.32 111.067 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.39 -37.18 86.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.908 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -56.85 -49.01 76.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.898 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.02 -44.1 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 63.23 110.923 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -66.07 -36.3 82.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 53.53 111.081 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -30.94 59.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.44 110.774 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -59.55 -34.92 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 52.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.427 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.3 tp -81.17 -51.38 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.27 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.16 -31.78 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.826 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -73.0 -37.97 66.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.612 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 16.8 m-85 -70.86 -24.78 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.971 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.86 62.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 42.23 112.48 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.0 pt -111.7 157.23 40.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 73.45 111.335 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.78 155.64 65.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.578 2.185 . . . . 75.43 112.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -127.09 124.43 39.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.975 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.1 OUTLIER -127.15 164.36 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.986 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -132.2 138.9 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.716 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.6 p -146.12 -178.51 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 71.34 111.201 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -146.36 122.15 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 63.41 110.791 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.37 -8.37 56.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 75.34 111.595 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -92.16 -48.06 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.83 0.348 . . . . 74.43 110.982 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 p -95.28 -17.42 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 54.35 111.19 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 9.0 ttp180 64.23 60.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 72.21 110.779 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -110.86 123.09 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.851 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.72 18.25 45.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 74.32 112.834 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.739 HG13 HD23 ' A' ' 19' ' ' LEU . 92.0 t -57.07 -53.58 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 CA-C-O 120.857 0.361 . . . . 73.3 111.14 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 26.7 mt-10 -63.01 -27.35 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.847 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -55.97 -48.02 76.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 65.42 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.897 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.92 -40.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 54.41 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -72.85 -50.16 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 72.14 111.074 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.1 m-85 -56.11 -39.84 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.929 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.493 HG21 HD11 ' A' ' 142' ' ' ILE . 45.3 m -61.08 -35.28 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.581 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.789 HD22 HD12 ' A' ' 79' ' ' LEU . 33.4 tp -66.81 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 73.44 110.602 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.734 HG21 ' CD1' ' A' ' 46' ' ' ILE . 41.3 t -61.41 -52.6 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.004 -0.544 . . . . 34.43 111.039 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -28.36 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -73.12 -55.46 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.15 111.011 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 110' ' ' PRO . 75.4 mt -60.25 -38.16 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.365 -0.38 . . . . 53.32 111.354 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -52.59 -45.16 66.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 52.34 111.025 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -59.75 -44.76 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.222 -0.894 . . . . 63.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.793 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.801 0.334 . . . . 64.42 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.09 149.77 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 61.4 110.692 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.66 117.89 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.863 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' HG13 ' A' ' 160' ' ' VAL . 8.5 m-85 -110.41 105.46 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.91 99.18 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.42 110.65 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 6' ' ' LEU . 3.5 mm? -89.98 101.6 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 54.05 111.146 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.6 t -88.11 109.06 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.73 139.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 62.23 111.051 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -137.26 148.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.041 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.76 174.16 37.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 62.53 112.709 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.649 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -90.04 156.96 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.862 0.363 . . . . 72.32 111.164 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.0 106.1 1.02 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 41.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.58 -20.21 7.39 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.768 -0.73 . . . . 70.02 112.625 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 11' ' ' ALA . 27.8 m -54.14 -25.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 71.42 111.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.69 25.98 28.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 74.11 112.465 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HA ' HG11 ' A' ' 81' ' ' VAL . 9.5 pttt -62.04 -34.98 77.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 71.02 110.89 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -72.59 -32.7 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.19 -55.41 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 70.35 111.125 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.583 HD22 HG13 ' A' ' 152' ' ' VAL . 25.8 mt -57.17 -29.97 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.048 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 37.9 mm -53.53 -30.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 72.12 111.282 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.698 ' CB ' HG11 ' A' ' 152' ' ' VAL . 60.9 mm-40 -60.79 -49.35 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.913 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 153' ' ' GLU . 5.7 tt -76.62 -9.0 58.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.462 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.413 HG22 ' HG3' ' A' ' 25' ' ' GLN . 24.4 mm -97.34 -72.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.726 0.298 . . . . 54.52 111.255 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' HG22 ' A' ' 24' ' ' ILE . 4.6 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 65.01 111.514 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 5.5 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.788 0.327 . . . . 63.33 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -141.1 154.73 46.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.72 148.42 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.2 110.956 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -103.55 118.72 37.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.783 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 33.7 m -130.58 -178.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 61.3 111.162 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.96 102.54 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.858 ' CD1' HG21 ' A' ' 160' ' ' VAL . 34.2 mt -111.93 135.71 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.11 110.926 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.32 17.66 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.259 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.73 -18.99 51.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.632 -0.794 . . . . 61.22 112.988 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.32 150.81 24.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 75.14 111.016 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -78.1 129.57 35.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.747 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.1 m -144.08 149.6 36.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.1 154.33 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.04 110.633 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 26.1 mt -134.31 86.13 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 73.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' OD1' HD12 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -91.6 96.76 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.86 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.0 mm -86.56 109.18 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.25 111.177 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.18 133.5 34.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 54.35 110.596 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 104.86 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.25 110.751 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 p -74.91 -173.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 61.14 111.306 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 66.5 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 63.22 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -52.1 -50.23 62.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.115 -0.493 . . . . 60.02 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -30.95 12.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.93 0.395 . . . . 54.12 110.953 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.43 -47.48 63.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.019 -0.537 . . . . 73.3 110.577 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.19 -21.88 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 62.32 110.972 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.814 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -73.63 -42.03 61.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.329 -0.396 . . . . 75.33 110.622 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 67.2 mtp180 -76.4 -17.04 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 75.42 111.12 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.1 p -101.01 -15.44 17.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.301 . . . . 62.41 111.029 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -94.41 162.73 24.76 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.695 -0.764 . . . . 71.45 112.808 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 1.1 mt-10 -102.97 -16.26 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.512 0.196 . . . . 63.4 111.219 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.73 -169.94 17.88 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.715 -0.755 . . . . 71.34 112.458 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.8 m-85 -153.89 137.86 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 71.12 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -122.14 123.0 40.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.684 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.8 m -96.02 119.86 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.989 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 16' ' ' LYS . 49.1 t -112.36 116.93 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 71.32 110.981 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.9 p90 -134.78 146.06 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 74.32 110.907 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.73 123.89 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.984 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.1 pt -58.03 -27.46 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.231 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 4.8 p-10 -75.08 -25.41 58.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 72.3 111.009 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -106.59 113.68 27.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 71.15 110.985 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.5 m -72.45 -26.6 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.23 111.098 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.693 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.591 ' HB3' HG12 ' A' ' 14' ' ' VAL . 6.3 m -60.29 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.767 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CE1' HD22 ' A' ' 133' ' ' LEU . 63.0 t80 -59.48 -29.02 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 70.42 110.849 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.58 -41.44 72.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.999 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.44 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 8.0 m-20 -60.47 -34.52 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.949 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.5 mm -59.89 -25.9 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.45 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -77.54 -55.45 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 65.11 110.831 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -64.42 -30.6 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 73.5 111.086 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 4.5 m-85 -59.88 -39.51 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 75.1 110.78 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -37.64 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 73.44 110.772 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.93 -38.65 83.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 71.11 111.065 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.29 -44.55 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.023 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.726 HD13 ' HE3' ' A' ' 111' ' ' MET . 23.8 mt -63.07 -48.37 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.105 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -35.61 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 62.41 111.115 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -58.86 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.662 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 72' ' ' MET . 45.2 t -57.45 -64.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.178 0.513 . . . . 72.1 110.968 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -58.74 -26.54 64.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 75.32 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.47 53.57 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 74.42 110.739 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.85 141.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.543 . . . . 45.02 110.884 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.47 -31.38 62.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.751 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -84.9 95.43 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 52.14 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 110' ' ' PRO . 50.6 t -133.16 136.55 27.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.726 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 109' ' ' VAL . 59.7 Cg_endo -72.93 100.97 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.871 2.381 . . . . 70.52 112.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.772 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -144.26 162.03 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 71.54 110.921 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.629 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -142.96 146.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 74.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -107.49 113.54 26.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 75.23 110.741 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.72 HG22 ' HB1' ' A' ' 155' ' ' ALA . 16.3 t -100.67 146.57 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.249 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.69 91.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.428 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.78 155.79 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 53.34 111.053 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.2 mttt 59.8 75.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 75.25 111.048 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.0 t -99.25 -20.78 16.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 62.45 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.94 -23.72 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.446 -0.343 . . . . 73.22 111.271 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.67 139.94 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 75.13 111.175 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.72 26.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.245 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.64 69.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 73.54 110.866 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -86.2 114.51 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 74.35 110.837 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.4 p -88.46 -49.8 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 71.31 110.651 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.8 t -87.59 96.43 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 62.41 110.842 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -54.33 157.25 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 52.54 111.048 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.9 m -57.68 -29.39 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.53 111.044 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -58.32 -47.9 82.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 64.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -41.1 88.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.29 72.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.32 111.115 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -40.82 27.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 62.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.23 -33.41 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.15 110.829 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 90' ' ' PHE . 22.6 tp -77.34 -51.42 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.54 84.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.52 111.081 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -58.0 -30.26 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.888 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -73.3 -36.7 66.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.734 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -74.11 -21.72 59.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.048 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.97 61.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 65.11 112.397 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 111' ' ' MET . 5.4 pt -110.0 156.94 39.14 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.293 . . . . 75.43 111.373 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.8 Cg_endo -70.84 159.69 51.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 71.13 112.418 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -134.19 118.13 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.809 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -120.71 150.62 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.896 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.06 131.17 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 63.22 110.86 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 49.4 p -138.77 159.54 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 70.11 111.153 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 p -131.09 120.96 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 54.24 110.846 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.72 -13.66 60.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 64.55 111.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -92.55 -50.65 5.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 64.24 111.294 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 p -88.25 -21.17 24.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 54.44 111.363 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.73 69.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.987 0.422 . . . . 73.53 110.55 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -125.33 116.09 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 75.44 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 66.59 14.24 62.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 54.03 112.836 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.698 HG11 ' CB ' ' A' ' 22' ' ' GLN . 36.2 t -52.37 -55.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 73.45 111.202 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 23' ' ' LEU . 60.5 mt-10 -66.93 -26.8 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 54.52 110.914 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.05 -51.63 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.97 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.72 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.07 -43.56 82.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.095 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.495 ' CB ' HD13 ' A' ' 23' ' ' LEU . 35.5 m-85 -65.11 -49.83 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.871 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.1 -31.01 60.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.827 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.958 HG21 HD11 ' A' ' 142' ' ' ILE . 4.9 m -57.17 -40.45 77.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 55.01 110.854 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -57.01 -48.05 79.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.696 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.858 HG21 ' CD1' ' A' ' 46' ' ' ILE . 33.4 t -52.71 -38.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.114 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -33.18 67.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 54.22 110.858 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -68.21 -44.4 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.81 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.462 HG13 HD13 ' A' ' 159' ' ' LEU . 37.8 mt -61.31 -45.65 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.017 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -60.26 -34.75 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 72.41 110.8 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -97.46 25.89 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.35 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.235 -0.888 . . . . 63.44 110.978 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.634 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.886 0.374 . . . . 53.24 111.299 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.33 140.44 31.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.56 . . . . 52.32 110.841 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.18 141.53 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 65.33 110.637 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -135.34 148.1 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.12 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 2.6 mmtm -115.4 117.0 29.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 63.22 110.801 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.77 ' HB2' HD13 ' A' ' 55' ' ' ILE . 2.0 mm? -112.87 95.13 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 45.52 110.874 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 92.3 t -84.55 102.22 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 65.03 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.98 138.55 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 74.31 111.044 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.36 150.21 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 72.34 111.011 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.94 176.31 30.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.469 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -82.79 161.82 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 51.05 111.092 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.19 -19.54 61.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.785 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.61 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 73.1 112.752 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 11' ' ' ALA . 24.0 m -115.48 -34.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 73.31 111.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.49 23.82 8.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 70.0 112.483 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -43.53 98.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 73.54 110.949 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 p -66.82 -32.82 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 53.14 110.823 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -65.42 -48.75 71.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.875 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 152' ' ' VAL . 91.2 mt -65.53 -28.6 69.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.856 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 55' ' ' ILE . 91.9 m -58.75 -55.76 30.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 70.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -30.14 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.772 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -62.76 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 70.24 110.753 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -76.59 -7.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 63.23 111.317 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 42' ' ' LYS . 27.4 mm -105.84 -70.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 72.43 111.204 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.406 -179.703 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.758 0.314 . . . . 74.41 110.765 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -146.2 143.63 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' HD13 ' A' ' 24' ' ' ILE . 9.8 tptt -151.91 147.59 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 60.13 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.8 117.79 33.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.821 -0.627 . . . . 72.23 110.519 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 53' ' ' LEU . 26.0 m -138.94 -178.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 63.11 111.372 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.7 p -126.41 103.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.989 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -88.4 111.55 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.115 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 59.28 40.86 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.5 22.5 77.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 61.52 112.633 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -130.35 107.12 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 75.51 110.806 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -60.0 122.78 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 52.5 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.7 m -145.95 145.15 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 51.11 110.704 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.42 143.43 36.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.812 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 44' ' ' VAL . 42.0 mt -122.41 108.87 13.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.665 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 93.37 6.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.027 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' A' ' 6' ' ' LEU . 47.9 mm -78.08 113.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.734 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.034 HD21 ' CD1' ' A' ' 71' ' ' TYR . 2.5 tp -88.41 119.03 28.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.866 -0.607 . . . . 70.0 111.006 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.63 ' N ' HD12 ' A' ' 56' ' ' LEU . 3.4 t0 -110.13 108.2 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 75.35 110.773 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -98.38 -173.76 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.15 110.809 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 64.21 111.098 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 4.9 mtp . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.606 0.241 . . . . 63.32 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -49.27 -31.08 8.23 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.051 0.453 . . . . 72.14 110.322 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -33.63 67.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.811 -0.631 . . . . 73.2 110.184 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 67' ' ' MET . 4.0 tp60 -57.45 -48.48 79.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.778 -0.646 . . . . 72.33 110.243 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 1.034 ' CD1' HD21 ' A' ' 56' ' ' LEU . 23.5 m-85 -51.67 -33.75 35.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 75.24 111.486 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.712 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.3 mtt -73.63 -39.19 64.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.055 0.455 . . . . 71.41 110.151 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.0 mtm180 -81.12 -15.39 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 74.24 111.402 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 70' ' ' GLN . 80.5 p -100.24 -15.36 18.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 53.14 111.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -100.0 159.23 19.54 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.586 -0.816 . . . . 61.03 113.441 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -105.97 -13.42 15.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 73.11 110.828 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.458 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.96 170.02 31.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.887 -0.673 . . . . 70.41 112.089 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CE2' HG23 ' A' ' 100' ' ' ILE . 69.5 m-85 -138.39 140.6 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 73.3 111.283 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.4 121.16 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.22 110.756 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 18.6 m -97.99 115.98 29.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.31 122.05 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.056 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD11 ' A' ' 113' ' ' LEU . 17.1 p90 -136.04 141.92 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.823 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.25 123.78 32.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 73.35 111.044 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.909 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.5 pt -56.34 -31.58 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 64.12 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -24.47 65.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 62.23 111.012 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -113.22 103.49 11.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.389 . . . . 72.1 110.886 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.691 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.5 -23.59 67.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.027 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -44.37 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 62.31 110.743 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 13.3 m -56.96 -36.75 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 51.02 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.93 -29.06 69.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.51 110.877 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.0 -31.55 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.3 m-20 -72.23 -31.48 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.1 mm -61.34 -28.35 43.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.23 110.969 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -73.18 -55.44 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.14 -28.69 68.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.079 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -58.35 -42.23 86.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 72.1 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.425 HH12 HG22 ' A' ' 93' ' ' ILE . 2.1 ttm105 -65.22 -34.05 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 54.51 110.741 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.2 -45.26 91.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.68 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -40.2 95.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 71.43 110.583 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.692 HG23 ' CE2' ' A' ' 78' ' ' PHE . 83.5 mt -62.08 -53.18 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 51.32 111.06 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.79 -35.6 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.228 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -61.4 -59.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 70.21 111.024 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.712 HG11 ' HB2' ' A' ' 72' ' ' MET . 27.5 t -62.69 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 5.0 mmmt -59.18 -28.06 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 73.31 111.019 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t0 62.44 50.97 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.706 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.43 140.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 74.31 110.811 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -75.19 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 65.13 111.0 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -90.55 89.38 7.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.126 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.687 HG23 ' SD ' ' A' ' 111' ' ' MET . 0.0 OUTLIER -121.65 152.79 59.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 53.01 110.947 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HB2' HG12 ' A' ' 163' ' ' ILE . 59.9 Cg_endo -71.93 108.48 2.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.646 2.23 . . . . 64.32 112.524 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.791 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -158.92 165.96 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.724 179.704 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.6 t -144.2 151.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.348 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tp -111.86 114.01 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 71.14 110.926 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.726 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 15.8 t -102.17 144.46 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.136 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 84.84 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 74.31 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.653 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.2 t-20 -64.38 169.44 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 75.31 110.922 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' A' ' 120' ' ' LEU . 11.0 mttt 61.08 51.71 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 t -87.19 -13.51 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 64.33 111.286 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -91.05 -18.05 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.507 -0.315 . . . . 73.22 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 117' ' ' LYS . 4.1 mm? -48.46 158.78 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 72.52 111.24 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.24 41.3 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.149 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.71 56.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 55.32 111.037 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.909 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.2 ptm180 -68.78 126.25 29.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.041 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.6 p -94.04 -26.18 16.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.583 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.691 HG22 HG23 ' A' ' 87' ' ' THR . 57.4 t -119.06 98.67 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.119 -0.491 . . . . 51.25 110.907 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.68 161.09 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 74.51 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.2 p -56.57 -29.93 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 64.31 110.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -59.82 -46.33 89.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.797 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.37 -36.85 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.84 56.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 62.44 111.162 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -33.27 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 75.3 110.943 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.4 -36.18 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.442 HD11 ' OH ' ' A' ' 137' ' ' TYR . 27.9 tp -78.25 -51.53 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.0 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.13 111.113 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -64.73 -23.52 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.086 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.4 t -77.97 -41.39 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 53.43 110.715 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -74.75 -19.93 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 74.31 111.012 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.96 17.63 62.8 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.416 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.791 HG21 ' HG2' ' A' ' 111' ' ' MET . 7.5 pt -107.71 156.83 37.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 62.2 111.485 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.613 ' HG2' HG13 ' A' ' 112' ' ' VAL . 60.2 Cg_endo -73.02 154.28 52.65 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 73.35 112.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -126.36 118.4 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -117.88 157.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.028 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.4 mt-10 -121.56 131.39 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.859 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.2 p -141.65 179.4 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 73.41 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -147.14 117.94 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.838 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -67.55 -22.65 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.39 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -83.41 -61.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 75.21 111.142 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -19.66 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.4 111.364 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.85 63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 74.21 110.657 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -114.23 120.38 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.85 28.06 51.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.803 -0.713 . . . . 73.04 112.677 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD22 ' A' ' 19' ' ' LEU . 26.3 t -57.46 -55.87 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.33 111.06 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.5 mt-10 -66.82 -28.29 68.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.829 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -34.01 63.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.726 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -75.65 -40.08 56.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.913 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 23' ' ' LEU . 25.8 m-85 -68.76 -50.47 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.82 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.6 m-85 -54.68 -33.45 60.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 65.35 111.064 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.9 HG21 HD11 ' A' ' 142' ' ' ILE . 84.8 m -58.44 -34.62 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 62.43 110.905 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.691 HD23 HD12 ' A' ' 6' ' ' LEU . 23.8 tp -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.52 110.789 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.73 -48.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.952 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -66.4 -28.99 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.801 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.56 -54.85 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.783 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.458 HD11 ' HA3' ' A' ' 77' ' ' GLY . 69.8 mt -59.15 -52.03 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.303 -0.408 . . . . 64.51 111.048 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -48.1 -33.85 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.989 -0.55 . . . . 73.15 110.981 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -31.98 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.839 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.215 -0.898 . . . . 72.44 110.873 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.116 0.484 . . . . 75.41 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -101.06 148.48 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.643 -0.708 . . . . 74.35 110.542 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD13 ' A' ' 52' ' ' LEU . 1.4 mt-10 -109.49 118.33 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.926 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.409 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.2 m-85 -108.03 123.92 49.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 63.43 110.929 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -101.25 119.47 38.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.781 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 159' ' ' LEU . 10.8 mt -113.7 119.0 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.095 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.455 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 40.7 t -87.37 102.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.55 111.04 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG21 HG22 ' A' ' 55' ' ' ILE . 21.8 t -79.37 124.78 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.51 111.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.5 m -135.51 149.52 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 71.13 111.048 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 63.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 72.02 112.631 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.75 -169.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 74.53 111.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.96 43.14 1.61 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 54.22 112.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.5 36.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 45.42 112.441 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' A' ' 89' ' ' SER . 14.5 m -110.82 -26.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 72.31 111.354 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.37 18.56 6.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 61.22 112.685 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -36.61 80.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 74.55 110.722 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -43.17 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.709 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.75 80.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HG13 ' A' ' 152' ' ' VAL . 42.8 mt -66.03 -31.75 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 m -67.57 -52.12 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.33 -29.0 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.792 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -67.33 -42.6 83.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 60.31 110.604 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 156' ' ' PHE . 54.9 tp -76.62 -7.62 55.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 75.22 111.228 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.41 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.3 mm -111.94 -69.25 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 74.01 111.298 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.04 111.385 -179.542 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 74.42 110.746 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -97.52 135.96 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.965 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' HD13 ' A' ' 24' ' ' ILE . 21.1 tttm -148.91 151.03 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.35 110.786 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -109.33 120.64 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.727 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 27.4 m -133.85 176.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.23 111.267 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.99 102.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.004 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.4 mt -127.28 138.2 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.026 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.54 29.33 15.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 54.11 110.935 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.94 27.0 67.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.4 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -145.47 105.99 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 71.14 110.851 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -55.64 129.64 39.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.8 m -146.74 156.27 43.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 61.03 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.448 HD13 ' HG3' ' A' ' 3' ' ' GLU . 1.8 mt -84.71 145.15 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 65.24 110.716 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.655 HD11 HG21 ' A' ' 44' ' ' VAL . 53.5 mt -115.22 93.34 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.061 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -86.19 99.44 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.808 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.544 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.7 mm -91.25 110.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 63.4 111.078 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 7' ' ' VAL . 8.6 tp -79.8 120.84 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.997 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.0 t70 -118.58 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 10.5 p -80.48 -175.95 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.046 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 45.44 111.056 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.604 0.24 . . . . 62.24 111.09 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.27 -48.29 79.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.992 0.425 . . . . 72.03 109.944 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -30.4 64.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 73.23 110.113 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -79.54 -41.27 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 70.43 110.424 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 20.4 m-30 -58.47 -42.3 87.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 65.04 110.573 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -70.7 -37.03 73.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 54.24 110.021 179.215 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 67.6 mtp180 -77.38 -14.51 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 65.24 110.969 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' GLN . 50.8 p -98.83 -21.92 16.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.318 -0.401 . . . . 52.51 110.442 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -98.49 159.15 20.44 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.757 -0.735 . . . . 61.33 113.065 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.2 mm-40 -102.16 -16.28 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 34.31 110.877 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.39 167.05 30.21 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.021 -0.609 . . . . 32.32 112.15 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 104' ' ' LYS . 3.1 m-85 -136.58 148.13 47.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 72.02 111.147 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.53 115.93 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.41 110.873 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 93' ' ' ILE . 35.0 m -90.69 104.02 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.953 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 9' ' ' VAL . 7.5 p -115.52 134.86 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.54 110.982 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 113' ' ' LEU . 4.5 p90 -147.64 153.8 39.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 60.33 110.791 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.67 125.21 35.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.132 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.5 pt -61.9 -27.6 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.236 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.463 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 2.9 p-10 -71.17 -23.62 62.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -113.22 119.62 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 75.43 110.86 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.9 m -69.02 -33.59 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.91 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -56.54 -44.4 80.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 74.33 110.913 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.528 ' HB3' HG12 ' A' ' 14' ' ' VAL . 82.1 p -59.49 -37.63 78.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 72.51 110.905 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 23.6 t80 -68.17 -36.85 80.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -27.12 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 53.45 111.109 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -69.41 -37.29 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 65.41 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.785 HG23 ' HB3' ' A' ' 80' ' ' CYS . 24.9 mm -59.85 -27.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 74.22 111.035 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.24 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 62.2 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.12 -28.05 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 75.12 110.984 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -33.93 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.922 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.77 -34.19 76.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.83 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -44.55 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.814 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -68.5 -43.79 83.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.975 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -35.42 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 52.21 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -69.87 -58.93 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.2 111.182 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 42.8 t -56.24 -52.21 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 71.23 111.104 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.757 ' HG3' HG11 ' A' ' 109' ' ' VAL . 13.4 mmtm -66.38 -26.61 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.95 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t0 68.54 38.76 2.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 74.43 110.78 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -176.02 164.02 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.842 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -104.54 18.22 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 34.55 111.261 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -126.62 82.0 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 54.12 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 104' ' ' LYS . 33.2 m -130.24 154.34 81.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.252 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.454 ' HB2' HG12 ' A' ' 163' ' ' ILE . 55.6 Cg_endo -70.33 106.59 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.601 2.201 . . . . 63.55 112.284 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.715 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.5 ptp -149.93 171.59 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 75.45 110.94 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.9 t -144.07 160.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.03 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.81 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.8 tp -125.48 106.48 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.805 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 19.9 t -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 61.12 111.357 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.64 87.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 65.13 112.275 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.98 169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.38 . . . . 74.53 111.06 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp 61.03 59.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.962 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.8 t -102.24 4.86 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 53.22 111.352 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.93 -28.41 8.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.729 0.299 . . . . 74.11 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 120' ' ' LEU . 14.9 mt -53.52 153.68 4.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 70.11 111.094 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.84 31.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 54.11 111.138 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.86 79.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.068 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.74 112.26 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.714 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.7 p -86.17 -49.85 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.674 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.47 101.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.828 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 161.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.14 111.078 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 m -62.02 -40.84 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 63.53 111.045 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -55.93 -46.35 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.995 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -61.02 -41.63 96.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.14 111.009 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -71.04 -33.48 70.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 52.43 111.154 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -33.13 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.12 110.884 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.78 -45.98 85.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.74 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.4 tm? -69.82 -51.86 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 64.43 111.013 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.81 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -54.91 -47.87 73.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.907 -0.588 . . . . 63.23 111.207 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -59.95 -29.16 68.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.02 111.039 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.0 t -77.95 -21.56 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 54.21 110.944 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.74 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.1 m-30 -88.65 -22.3 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.212 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.55 16.66 65.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 64.5 112.555 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.715 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.5 pt -112.09 157.17 40.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.74 0.305 . . . . 64.53 111.361 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.531 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.7 Cg_endo -71.75 149.11 53.84 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 72.3 112.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -119.43 116.96 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 75.14 110.489 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 158' ' ' THR . 2.4 mp -117.66 152.62 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.099 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.71 129.68 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.53 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 151' ' ' GLY . 45.2 p -138.97 169.5 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.081 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.08 121.3 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.833 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.37 -6.43 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 54.22 111.668 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.51 -47.23 6.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 71.13 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -95.3 -14.87 23.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.418 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.38 61.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 73.12 110.65 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.35 118.62 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 61.43 110.997 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.22 13.96 58.69 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.805 -0.712 . . . . 73.13 112.958 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.699 HG13 ' CD2' ' A' ' 19' ' ' LEU . 46.4 t -53.25 -60.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 63.03 111.344 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -62.03 -34.39 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 65.41 110.833 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.38 -34.74 49.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.948 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.65 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -74.76 -44.6 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 75.03 111.012 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 23' ' ' LEU . 53.6 m-85 -63.56 -51.02 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 64.4 111.008 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.64 -30.14 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.199 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.757 HG21 HD11 ' A' ' 142' ' ' ILE . 59.9 m -58.79 -32.77 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 55.4 111.048 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.618 ' CD2' HD22 ' A' ' 6' ' ' LEU . 27.9 tp -73.11 -40.94 64.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.3 t -54.22 -44.9 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 41.24 111.279 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -39.74 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 64.02 110.977 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.73 -54.84 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.42 110.973 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 110' ' ' PRO . 46.5 mt -56.35 -42.87 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.322 -0.399 . . . . 75.01 111.159 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -56.73 -47.08 80.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.981 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.61 -44.34 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.3 110.841 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.226 -0.892 . . . . 71.45 110.842 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.763 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.799 0.333 . . . . 74.43 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.45 149.8 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.693 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.12 109.32 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 55.21 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -97.06 113.45 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.95 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.05 99.92 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 53.51 110.819 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 159' ' ' LEU . 4.2 mm? -89.48 95.15 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 60.14 110.71 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 56' ' ' LEU . 11.7 t -84.23 102.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 64.1 111.09 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.09 112.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 63.43 111.298 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.66 -175.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 71.22 111.056 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 126.9 163.01 11.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 60.42 112.487 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.673 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -62.22 166.16 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 63.41 111.105 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.51 -10.94 55.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.848 -0.691 . . . . 71.0 112.916 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.99 57.08 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.554 -0.831 . . . . 54.32 112.642 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 89' ' ' SER . 33.3 m -120.3 -5.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.786 0.291 . . . . 75.21 111.786 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.23 21.85 69.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 41.13 112.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.15 75.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 71.41 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -25.88 62.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.205 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -59.06 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 41.45 111.357 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' CZ ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -56.68 -28.98 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.263 -179.752 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.438 HG23 HG21 ' A' ' 55' ' ' ILE . 30.6 m -54.42 -46.84 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 24.3 111.187 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.452 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.7 mp -75.14 -32.78 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.346 -0.388 . . . . 74.33 110.747 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -59.19 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.53 110.638 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -60.25 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.35 110.614 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.6 -60.46 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 61.11 110.999 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 . . . . . 0 CA--C 1.539 0.521 0 CA-C-N 116.198 -0.455 . . . . 71.15 110.27 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 63.12 110.737 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -147.54 129.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.915 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -124.89 147.27 48.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.31 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG3' HD22 ' A' ' 52' ' ' LEU . 6.6 tt0 -95.35 120.72 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.813 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 53' ' ' LEU . 34.4 m -129.76 176.86 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.19 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.78 102.28 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.994 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.636 HG21 HG11 ' A' ' 160' ' ' VAL . 44.1 mt -116.24 139.63 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.045 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.62 16.66 10.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 63.0 111.241 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.37 51.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 72.32 112.956 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -107.21 147.99 29.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 60.45 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.2 m -72.98 129.21 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 73.04 110.752 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.9 m -144.69 146.91 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.931 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.763 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.5 155.62 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 75.51 110.807 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 44' ' ' VAL . 33.7 mt -126.56 81.55 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.029 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.26 99.89 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.681 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 6' ' ' LEU . 17.0 mm -87.34 109.19 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.447 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -92.58 100.78 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 53.35 110.657 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.51 104.41 16.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.98 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HD11 ' A' ' 56' ' ' LEU . 27.4 p -75.41 -174.15 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.617 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.336 -0.393 . . . . 74.44 111.229 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 6.1 ptp . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.736 0.303 . . . . 71.23 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -51.05 -51.12 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.63 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.272 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.92 ' O ' HG23 ' A' ' 74' ' ' THR . 1.9 tp60 -67.83 -48.92 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 75.22 110.487 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 67' ' ' MET . 22.0 m-85 -51.53 -37.13 47.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 70.42 111.319 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.782 ' HB2' HG11 ' A' ' 103' ' ' VAL . 2.4 mtt -67.44 -46.48 72.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.41 -0.589 . . . . 72.42 109.41 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.7 mtp180 -72.12 -10.14 59.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.511 -0.768 . . . . 71.33 111.195 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.92 HG23 ' O ' ' A' ' 70' ' ' GLN . 45.3 p -99.02 -23.28 15.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 73.31 110.832 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -104.77 166.35 14.84 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.573 -0.822 . . . . 54.41 113.664 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 0.7 OUTLIER -112.11 -13.12 13.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.352 . . . . 74.3 110.876 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.3 151.11 22.84 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.796 -0.716 . . . . 54.44 112.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.86 155.7 37.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 73.33 111.17 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 116.89 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 71.44 110.8 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.845 ' HB3' HD12 ' A' ' 93' ' ' ILE . 63.8 m -90.66 110.92 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 71.24 110.969 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 116' ' ' ASN . 74.5 t -107.58 111.46 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 64.42 111.039 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.12 144.81 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.637 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.65 33.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 74.23 110.968 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.1 pt -61.25 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.22 111.002 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.83 -28.51 30.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.881 -0.6 . . . . 72.22 110.732 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.02 106.48 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.795 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 125' ' ' VAL . 1.8 m -67.38 -27.4 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.075 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -62.1 -45.43 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 75.12 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.697 ' CB ' HG12 ' A' ' 14' ' ' VAL . 93.8 p -53.84 -43.96 69.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 64.22 110.887 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 20.8 t80 -59.84 -27.82 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.712 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.96 -29.83 55.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 63.04 111.073 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.23 -33.06 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 75.11 111.084 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 ' HB3' ' A' ' 80' ' ' CYS . 20.4 mm -60.94 -31.66 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -69.63 -55.35 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.24 110.722 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.67 -28.35 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 65.14 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.2 m-85 -58.54 -48.78 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.99 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -55.44 -30.71 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.126 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.71 -41.05 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 54.31 110.839 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -24.31 62.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.039 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.674 HG21 ' HE2' ' A' ' 111' ' ' MET . 6.6 mm -74.99 -44.31 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 55.53 111.135 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -59.85 -32.79 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 72.25 111.179 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -59.11 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.354 . . . . 72.24 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 72' ' ' MET . 46.7 t -62.05 -52.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 74.22 110.823 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -26.67 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 73.51 110.805 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.3 t0 62.42 50.15 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 72.14 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 176.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.71 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -79.3 81.14 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.23 111.007 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.51 144.05 32.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.979 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 53.4 Cg_endo -68.76 100.93 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 70.22 112.503 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.674 ' HE2' HG21 ' A' ' 100' ' ' ILE . 3.2 ttm -134.42 173.31 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.935 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 159' ' ' LEU . 16.3 t -146.92 153.81 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 62.21 111.128 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.8 tp -128.84 112.2 13.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.15 110.817 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.2 t -109.18 154.75 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 75.3 111.336 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -108.43 78.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 75.51 112.319 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.423 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 4.2 t-20 -55.76 156.75 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 71.42 110.982 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.8 mttp 63.04 57.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 72.22 110.943 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 t -91.8 -22.32 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 62.31 111.068 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -77.91 -25.23 48.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.359 . . . . 74.41 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 117' ' ' LYS . 21.0 mt -51.21 166.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 73.35 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -121.44 27.19 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 72.3 111.338 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.56 73.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 55.04 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptm180 -90.41 139.66 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 72.33 110.893 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -110.28 -24.67 10.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 44.45 110.686 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 87' ' ' THR . 21.6 t -111.84 104.28 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.104 -0.498 . . . . 70.52 111.088 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.04 161.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 55.32 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.3 p -63.05 -35.65 80.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 72.14 111.053 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.48 -48.59 80.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.65 -40.91 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.06 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.34 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.1 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -29.22 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.13 -36.0 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 74.22 110.955 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.437 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 15.5 tp -81.15 -50.91 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.823 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.27 -44.29 88.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.197 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -56.72 -41.57 77.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.3 t -75.35 -33.77 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.753 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 m-30 -69.3 -24.79 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 71.13 111.037 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.19 12.66 59.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.65 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.414 HG21 ' HB3' ' A' ' 111' ' ' MET . 11.2 pt -112.3 151.59 43.85 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 55.32 111.379 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.55 160.34 50.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.54 2.16 . . . . 61.25 112.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -124.9 118.93 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.752 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 1.045 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -121.9 160.33 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 74.21 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 142' ' ' ILE . 26.4 mt-10 -120.08 133.12 55.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 64.24 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.1 p -145.54 171.37 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 62.42 111.109 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.18 117.18 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 74.31 110.702 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.45 -23.36 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.466 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -66.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 73.05 111.2 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.3 p -80.95 -13.91 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.574 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 152' ' ' VAL . 1.4 ttt-85 62.59 57.3 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 71.51 110.613 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -108.35 130.06 55.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 70.34 110.911 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.525 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.14 21.38 46.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 64.31 112.814 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.49 HG21 ' HG3' ' A' ' 149' ' ' ARG . 25.8 t -57.58 -58.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 64.34 111.031 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -62.98 -31.3 72.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.769 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -54.03 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.34 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -60.78 -48.08 83.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.003 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.629 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 20.4 m-85 -57.71 -51.61 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 64.13 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.56 -25.68 60.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 72.22 111.12 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' THR . . . . . 1.045 HG21 HD11 ' A' ' 142' ' ' ILE . 2.0 m -57.12 -50.19 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 65.5 111.196 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 6' ' ' LEU . 19.1 tp -59.01 -34.38 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 65.52 111.028 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.636 HG11 HG21 ' A' ' 46' ' ' ILE . 53.3 t -56.4 -50.2 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.35 . . . . 43.32 111.013 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.95 -28.74 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.881 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.8 -50.72 27.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.079 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.401 HD11 ' HG ' ' A' ' 159' ' ' LEU . 68.1 mt -60.15 -36.41 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.274 -0.421 . . . . 74.25 111.189 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -65.47 -21.64 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 74.41 111.143 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.87 26.22 4.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.824 0.345 . . . . 61.34 111.156 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.223 -0.894 . . . . 64.34 110.925 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.879 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.039 0.447 . . . . 72.42 111.34 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.402 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -77.8 146.69 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.737 -0.665 . . . . 73.35 110.819 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -98.11 126.47 43.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.661 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.402 ' CZ ' HG21 ' A' ' 2' ' ' THR . 33.7 m-85 -118.96 125.07 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.114 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.38 106.36 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.673 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 159' ' ' LEU . 41.0 mt -97.49 108.51 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.053 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.19 102.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.45 110.952 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -83.61 139.62 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.25 111.192 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.3 m -137.93 157.02 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 74.02 110.938 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.89 176.99 47.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 24.13 112.585 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.17 25.0 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 75.41 111.228 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -78.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.66 -0.781 . . . . 74.23 112.55 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.52 -23.71 36.34 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.83 -0.7 . . . . 62.5 112.735 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG12 ' HB2' ' A' ' 89' ' ' SER . 16.1 m -53.74 -39.11 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 61.34 111.322 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.39 50.87 1.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 73.11 112.611 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -77.16 -30.56 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 73.54 110.884 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -32.44 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 146' ' ' ALA . . . -53.8 -53.02 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 62.44 111.219 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 HG13 ' A' ' 152' ' ' VAL . 38.5 mt -62.56 -38.11 88.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.836 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.724 HG23 ' CG2' ' A' ' 55' ' ' ILE . 91.9 m -62.93 -58.21 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.817 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.52 -29.32 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.793 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -71.23 -44.51 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 60.13 110.751 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 156' ' ' PHE . 1.3 tt -76.79 -4.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.413 HG21 ' CD2' ' A' ' 40' ' ' TYR . 26.2 mm -118.1 -69.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.803 0.335 . . . . 75.13 111.221 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.102 -179.765 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' HG21 ' A' ' 24' ' ' ILE . 5.8 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 64.13 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -143.16 106.42 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.837 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -112.36 145.89 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.964 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -104.88 132.08 51.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 70.25 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.73 174.93 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.66 100.8 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.5 mt -114.66 138.44 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.021 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t0 63.6 17.69 10.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 53.15 111.23 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.15 40.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 63.13 112.858 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -102.21 155.17 18.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.2 111.1 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.0 m -92.12 131.44 37.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.702 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.8 m -146.8 146.64 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 63.31 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.879 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.96 146.96 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.643 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 mt -118.33 109.02 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 72.15 110.84 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.46 90.79 3.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.151 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.724 ' CG2' HG23 ' A' ' 20' ' ' THR . 1.6 mp -79.87 116.09 23.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 62.45 110.718 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.923 HD21 ' CD1' ' A' ' 71' ' ' TYR . 16.6 tp -83.15 126.77 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.034 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -112.14 78.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 61.52 110.931 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.406 HG23 ' HG ' ' A' ' 56' ' ' LEU . 13.8 p -80.42 -173.76 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 53.4 110.937 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 55.42 111.344 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.423 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 121.012 0.434 . . . . 75.34 110.8 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -54.59 -44.72 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 74.23 111.326 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.06 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 72.35 111.133 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' THR . 13.2 tp60 -75.5 -37.22 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.176 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.923 ' CD1' HD21 ' A' ' 56' ' ' LEU . 25.6 m-85 -59.0 -37.44 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.374 -0.375 . . . . 74.33 111.154 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.625 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mtt -67.86 -35.81 79.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 63.2 110.305 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -81.48 -15.21 55.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.648 . . . . 75.02 111.236 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -104.72 -5.33 21.4 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.456 -0.338 . . . . 72.53 111.577 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.46 160.64 13.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.442 -0.885 . . . . 72.41 112.995 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -103.75 -15.59 15.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.669 0.271 . . . . 70.41 111.071 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.11 174.11 28.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 30.32 112.526 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 63.6 m-85 -143.83 136.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 75.31 111.077 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.05 116.62 27.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 72.24 110.754 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' HD12 ' A' ' 93' ' ' ILE . 1.3 m -97.49 123.41 41.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 63.21 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HD11 ' A' ' 93' ' ' ILE . 22.6 m -105.21 131.19 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.987 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -128.11 128.82 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.765 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.9 123.72 34.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.96 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.809 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.7 pt -64.74 -22.04 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 42.2 111.204 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.88 8.1 30.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 64.43 111.245 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -138.38 107.39 6.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.836 0.35 . . . . 62.51 110.919 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.448 ' HA ' HG21 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -61.45 -30.71 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.21 110.831 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -67.07 -39.0 86.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.857 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.579 ' HB2' HG12 ' A' ' 14' ' ' VAL . 64.6 p -59.12 -40.37 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 60.33 110.667 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 11.8 t80 -63.43 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.741 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.92 -26.67 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.026 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -70.54 -33.78 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 73.42 110.981 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.828 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.3 mm -60.7 -30.46 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 62.4 110.863 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.97 -55.43 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.854 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.54 -31.44 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.051 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.6 m-85 -61.05 -48.13 83.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 74.25 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.91 -35.34 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.98 -27.02 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 61.04 111.008 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 72' ' ' MET . 2.7 tp60 -77.35 -34.9 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.498 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' HE1' ' A' ' 111' ' ' MET . 59.9 mt -68.9 -46.54 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.011 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -59.24 -26.74 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 71.45 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -67.47 -58.9 3.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 73.43 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.625 HG11 ' HB2' ' A' ' 72' ' ' MET . 22.0 t -61.37 -54.72 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 70.22 111.14 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.7 47.91 2.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.4 152.79 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.817 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -90.64 -36.13 14.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 70.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.16 82.11 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.933 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.04 151.95 45.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 74.1 111.026 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.16 104.23 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.568 2.179 . . . . 74.03 112.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.72 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.3 ptp -152.88 168.19 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.843 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.0 t -143.04 149.74 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.15 111.209 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -107.76 107.05 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.84 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.863 HG21 HD21 ' A' ' 79' ' ' LEU . 19.9 t -101.23 139.15 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.264 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.99 97.49 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.764 -0.731 . . . . 64.11 112.477 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -76.56 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 75.55 110.95 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 120' ' ' LEU . 8.4 mtpt 62.4 69.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 65.34 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.3 t -108.45 -22.26 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.099 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.13 -24.97 32.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 74.43 111.181 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 117' ' ' LYS . 11.9 mt -50.59 161.99 0.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 74.3 111.057 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.63 29.87 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 64.32 111.304 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.36 57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 73.25 111.192 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.809 ' CB ' HD12 ' A' ' 84' ' ' ILE . 8.1 ptp85 -83.52 138.3 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 63.23 111.049 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.1 p -106.28 -48.73 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 55.44 110.769 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 87' ' ' THR . 58.2 t -100.21 104.46 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.963 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.6 155.4 12.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.945 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.9 m -57.0 -29.8 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 63.15 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -58.77 -39.94 82.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 60.43 110.844 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.29 -34.71 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.437 ' HB2' ' CE2' ' A' ' 82' ' ' PHE . . . -79.86 -35.69 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 35.13 111.085 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -41.78 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.958 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.57 -42.79 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.702 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.2 tm? -66.95 -51.96 48.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.45 111.19 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.32 -41.08 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 63.42 110.906 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -61.91 -23.85 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 70.31 110.97 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 p -76.62 -35.79 57.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 54.2 110.803 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.702 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 22.8 m-85 -76.66 -21.6 55.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.55 111.113 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.09 14.67 62.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.768 . . . . 61.35 112.601 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.72 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.0 pt -108.33 151.01 41.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.721 0.296 . . . . 65.32 111.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.489 ' HG2' HG13 ' A' ' 112' ' ' VAL . 34.1 Cg_endo -65.05 151.51 85.5 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.602 2.202 . . . . 74.14 112.433 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -123.26 106.5 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 52.24 110.508 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.655 HD11 HG21 ' A' ' 158' ' ' THR . 4.7 mp -108.07 144.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.016 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.11 131.99 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.54 111.011 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.6 p -142.26 174.63 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 61.41 110.957 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.48 124.72 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.862 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.761 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . . . -79.26 -2.39 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.55 111.582 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -95.02 -29.3 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.319 . . . . 70.14 110.986 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.0 p -122.42 1.35 9.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 61.13 111.571 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 28.5 ttt180 49.35 67.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.901 0.382 . . . . 64.34 111.135 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.33 117.43 29.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 63.01 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.464 ' O ' HG22 ' A' ' 144' ' ' THR . . . 56.24 20.83 30.35 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.861 -0.685 . . . . 42.12 112.941 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.49 HG13 HD22 ' A' ' 19' ' ' LEU . 19.9 t -54.52 -55.54 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.833 0.349 . . . . 73.11 111.297 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 mp0 -66.43 -27.6 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.814 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -56.54 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.907 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.856 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -56.17 -35.54 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 71.42 111.158 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 23' ' ' LEU . 3.2 m-85 -70.71 -50.89 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.0 m-85 -53.94 -27.56 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 72.44 111.153 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 142' ' ' ILE . 9.5 m -56.84 -43.16 80.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 55.34 111.13 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.773 HD13 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -55.73 -32.27 63.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 72.14 110.799 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.4 t -59.95 -53.72 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 72.32 110.986 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -63.02 -31.38 72.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.782 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.48 -47.18 57.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD22 ' A' ' 159' ' ' LEU . 42.4 mt -66.7 -34.96 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.137 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.3 mtm-85 -51.32 -29.9 16.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.058 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -108.17 -35.35 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.915 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.257 -0.877 . . . . 44.32 110.92 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.029 0.443 . . . . 75.41 111.344 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.27 144.92 23.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 65.53 110.635 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -109.14 115.42 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.935 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.547 ' HB2' HD23 ' A' ' 53' ' ' LEU . 44.3 m-85 -101.18 99.08 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.864 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -86.63 98.27 11.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.883 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 55' ' ' ILE . 11.7 mt -84.3 130.49 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.247 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.523 HG23 ' HA3' ' A' ' 75' ' ' GLY . 71.4 t -103.57 102.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.834 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.5 138.65 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 63.21 111.001 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.92 151.13 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 64.22 110.949 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.19 156.26 22.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.664 -0.779 . . . . 54.33 112.625 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.45 50.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.261 . . . . 70.31 111.609 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.87 -69.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 65.33 112.086 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.5 -5.9 79.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 62.32 112.452 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.562 HG12 ' CB ' ' A' ' 89' ' ' SER . 26.9 m -54.67 -29.99 21.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.752 0.31 . . . . 71.22 111.42 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.84 26.85 11.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.549 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -65.5 -23.05 66.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 52.32 111.106 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -80.38 -42.83 22.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 40.34 111.064 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.529 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -53.09 -46.48 68.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD22 HG12 ' A' ' 152' ' ' VAL . 67.9 mt -60.74 -34.65 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.41 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.879 HG23 HG21 ' A' ' 55' ' ' ILE . 74.0 m -70.33 -50.62 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.835 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.561 HD11 ' OH ' ' A' ' 40' ' ' TYR . 44.7 mm -60.95 -42.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 62.21 111.01 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -57.59 -44.21 85.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 61.04 110.764 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.14 -59.11 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 52.33 110.608 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.51 -59.09 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 64.04 110.924 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 72.43 110.758 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 74.3 110.678 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -115.16 123.35 48.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -121.36 148.75 43.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.43 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -101.34 126.09 48.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.64 174.71 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 64.04 111.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.27 100.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 62.15 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 160' ' ' VAL . 43.8 mt -119.62 131.6 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 53.52 111.082 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.22 34.31 8.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.52 31.81 67.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 44.41 112.524 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.49 109.15 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.54 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -59.69 124.01 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.859 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.0 m -147.44 152.19 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.43 143.61 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.807 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 4' ' ' TYR . 72.8 mt -117.52 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 53.13 110.767 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.82 97.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.999 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 20' ' ' THR . 43.1 mm -79.04 122.04 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 65.35 110.988 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.2 tm? -114.43 101.41 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.899 -0.591 . . . . 72.42 110.847 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.71 108.76 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.781 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 71' ' ' TYR . 12.0 p -75.22 171.49 14.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.844 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.182 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.3 mtp . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.761 0.315 . . . . 73.13 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.57 -25.61 11.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.296 -0.411 . . . . 71.44 110.984 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.29 -36.78 39.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 73.52 111.11 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.711 ' OE1' HG21 ' A' ' 74' ' ' THR . 0.0 OUTLIER -57.16 -41.93 80.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.374 . . . . 75.25 110.76 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE2' HG22 ' A' ' 58' ' ' THR . 17.2 m-85 -52.86 -50.54 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 74.15 111.606 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.69 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -55.96 -34.95 66.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.421 . . . . 72.51 110.394 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 33.3 mtm180 -81.44 -17.73 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 61.34 111.492 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.711 HG21 ' OE1' ' A' ' 70' ' ' GLN . 81.8 p -98.32 -11.02 22.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.698 0.285 . . . . 75.31 110.98 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.73 155.06 19.32 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.52 -0.848 . . . . 54.13 113.692 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -96.33 -18.93 19.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.797 0.332 . . . . 74.45 110.566 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.3 -165.83 12.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.967 -0.635 . . . . 61.41 112.12 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 100' ' ' ILE . 89.2 m-85 -155.23 140.42 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 74.01 111.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.02 121.9 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 73.54 110.756 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.863 ' HB3' HD12 ' A' ' 93' ' ' ILE . 13.4 m -97.29 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.2 t -102.81 112.96 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' HD1' HD11 ' A' ' 113' ' ' LEU . 5.9 p90 -125.6 144.16 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.614 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HB1' ' HD3' ' A' ' 117' ' ' LYS . . . -87.33 123.64 32.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.312 -0.403 . . . . 73.53 110.947 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -59.92 -31.17 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.855 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 1.3 t30 -71.39 -29.15 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 63.1 110.812 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -106.5 109.27 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.793 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -67.44 -25.36 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.174 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -41.54 97.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.444 -0.344 . . . . 64.14 110.678 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.562 ' CB ' HG12 ' A' ' 14' ' ' VAL . 83.6 p -61.32 -28.9 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.12 -45.09 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.15 110.895 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.44 -29.89 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 53.45 111.082 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -67.09 -32.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 60.11 110.909 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 80' ' ' CYS . 22.7 mm -61.84 -28.94 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 41.04 110.922 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.62 -55.36 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.03 110.695 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -67.07 -28.46 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 55.32 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.3 m-85 -63.45 -49.66 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 64.52 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -57.1 -35.96 70.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.82 81.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -37.25 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.837 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 78' ' ' PHE . 47.4 mt -69.46 -44.05 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.54 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -30.46 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 75.34 110.84 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -58.94 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 65.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 72' ' ' MET . 39.4 t -58.69 -58.2 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 72.24 110.876 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -59.24 -24.92 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.684 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.5 t0 62.06 37.42 14.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.802 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -164.14 157.45 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 44.2 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -85.79 -42.56 14.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.654 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.86 92.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 65.14 110.644 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.3 t -128.5 136.39 29.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 54.35 110.782 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 109' ' ' VAL . 63.2 Cg_endo -74.73 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.902 2.402 . . . . 73.04 112.471 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -145.83 168.15 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.11 110.886 179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.633 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.1 t -143.19 151.08 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 70.21 111.071 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -110.43 127.28 55.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.964 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.674 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.0 t -120.47 137.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.04 111.082 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.57 78.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.717 -0.754 . . . . 65.23 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 19' ' ' LEU . 6.3 t-20 -52.71 170.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.823 0.344 . . . . 74.31 110.966 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 17.1 mtpt 61.98 49.7 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.896 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.8 t -87.47 5.84 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 52.14 111.411 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -110.05 -17.91 13.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.708 0.289 . . . . 73.04 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.4 mm? -53.62 173.01 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.403 -0.362 . . . . 74.01 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.35 41.27 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 61.23 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -166.78 64.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.983 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.781 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -72.03 84.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 55.34 111.013 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.2 p -60.52 -28.14 68.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 55.52 110.724 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.37 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.64 165.45 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.0 m -57.5 -25.19 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 75.11 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -62.47 -56.51 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 63.51 110.934 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.26 -39.14 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.04 111.071 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -66.92 -37.12 83.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.266 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -29.91 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.054 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.18 -45.5 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.395 . . . . 72.13 111.027 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.459 HD22 ' CZ ' ' A' ' 137' ' ' TYR . 20.4 mt -74.09 -48.79 27.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.168 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -56.77 -39.13 73.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 63.33 111.063 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -73.69 -44.25 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 64.4 110.856 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -64.08 -37.21 86.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.805 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-85 -84.33 -21.55 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.072 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.38 18.15 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 60.31 112.591 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.749 HG21 ' HG2' ' A' ' 111' ' ' MET . 8.0 pt -106.29 156.77 36.34 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.334 . . . . 75.24 111.46 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.633 ' HG2' HG13 ' A' ' 112' ' ' VAL . 62.1 Cg_endo -73.71 148.84 42.27 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.616 2.211 . . . . 73.51 112.206 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.433 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 13.9 t80 -124.76 124.78 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 74.42 111.015 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.78 HD11 HG21 ' A' ' 158' ' ' THR . 4.3 mp -125.11 155.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.829 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -115.67 129.76 56.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 72.01 110.856 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 151' ' ' GLY . 11.7 p -143.97 165.64 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 70.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.73 123.75 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 72.5 110.735 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -74.03 -25.47 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 60.24 111.263 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -77.8 -51.28 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 72.22 111.111 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 p -88.08 -20.35 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 34.2 111.436 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 63.34 61.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 64.22 110.596 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -119.76 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 71.45 110.95 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' THR . . . 70.61 8.84 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.847 -0.692 . . . . 71.22 112.906 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.624 HG12 HD22 ' A' ' 19' ' ' LEU . 20.8 m -57.42 -40.4 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 65.1 111.162 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.4 mt-10 -73.69 -31.69 63.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.827 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.01 -34.77 76.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.836 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.674 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -73.88 -40.44 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 51.31 111.1 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -69.03 -49.6 56.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 m-85 -56.64 -28.8 61.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.45 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 142' ' ' ILE . 99.0 m -59.01 -43.27 91.52 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.274 -0.421 . . . . 43.23 110.612 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.614 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.5 tp -58.94 -44.23 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.515 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 46' ' ' ILE . 48.6 t -51.29 -46.95 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.198 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -31.97 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.8 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.93 -51.71 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.111 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 110' ' ' PRO . 32.0 mt -56.74 -45.38 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.349 -0.387 . . . . 72.42 111.01 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -26.42 66.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.167 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -95.49 26.13 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 61.42 111.198 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 73.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 71.23 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.82 149.78 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.822 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.83 110.45 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.53 110.842 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -97.88 116.02 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -90.7 92.17 8.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 73.4 110.763 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.694 HD12 HD13 ' A' ' 55' ' ' ILE . 20.2 mt -91.97 134.55 34.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.152 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.6 t -109.67 105.3 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.88 140.26 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 71.33 110.87 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.2 m -141.02 137.6 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 55.14 111.206 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.5 154.55 19.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.408 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -56.49 175.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 74.13 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 -44.41 92.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 61.4 112.422 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.44 54.18 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.423 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.2 m -117.07 -39.39 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 60.3 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.25 47.31 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 63.34 112.695 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -73.62 -33.24 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 65.33 110.731 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 p -71.36 -31.9 67.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 72.01 111.011 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.78 -63.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.258 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.51 -24.71 33.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 54.04 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.1 m -67.1 -43.88 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 71.21 111.186 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.65 -30.4 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 75.32 110.924 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HB2' HG11 ' A' ' 152' ' ' VAL . 69.8 mm-40 -56.22 -39.96 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 64.12 110.884 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.8 -35.44 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 75.11 110.963 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.17 -69.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 60.34 111.406 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.063 -179.718 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.818 0.342 . . . . 74.31 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.74 117.65 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.857 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -113.69 150.09 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.981 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.36 135.71 41.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.41 110.843 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 34.3 m -147.41 174.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.155 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.1 106.54 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.991 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.823 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.0 mt -127.15 124.3 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.4 111.138 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.68 39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 55.11 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.03 28.67 61.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 72.31 112.538 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -146.27 104.44 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 75.54 110.882 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.7 m -58.96 128.86 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.829 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.9 m -145.22 152.11 39.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 62.03 110.992 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.52 136.83 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 71.13 110.876 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -106.69 79.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 75.33 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.56 93.58 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 HD12 ' A' ' 6' ' ' LEU . 17.3 mm -84.25 110.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.143 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 57' ' ' ASP . 1.1 tt -83.52 123.75 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 64.03 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' N ' HD23 ' A' ' 56' ' ' LEU . 29.6 t70 -100.81 100.04 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.907 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -85.1 -175.8 5.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.13 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.737 0.303 . . . . 74.11 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.8 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.724 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -76.7 -33.22 58.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 63.45 110.614 179.684 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.816 ' O ' HG23 ' A' ' 74' ' ' THR . 2.4 tp60 -68.87 -39.39 79.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 74.03 110.702 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -58.42 -36.73 74.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.741 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.807 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -63.97 -48.22 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 62.14 110.075 179.388 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.433 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 47.1 mtm180 -67.89 -12.0 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.616 . . . . 73.33 111.191 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 70' ' ' GLN . 69.6 p -99.25 -11.77 20.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.67 0.272 . . . . 73.24 110.93 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.661 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -110.36 148.57 17.54 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.605 -0.807 . . . . 72.0 113.254 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 4.1 mt-10 -89.89 -21.67 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.21 110.633 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.64 -174.3 13.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.039 -0.6 . . . . 75.23 112.138 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 100' ' ' ILE . 94.6 m-85 -150.55 134.85 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.12 111.021 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.41 108.83 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.945 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.1 m -88.82 128.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.684 ' O ' HD11 ' A' ' 93' ' ' ILE . 32.7 m -116.15 133.85 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 55.34 111.056 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.99 130.22 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.21 123.75 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.42 111.103 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.8 pt -60.17 -31.37 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.995 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.35 -25.91 62.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 70.01 110.928 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -114.62 99.69 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 73.35 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 125' ' ' VAL . 3.0 m -58.41 -27.71 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.004 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -57.49 -45.11 85.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.842 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.7 m -57.65 -36.88 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 55.44 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.94 -36.97 78.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.821 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.81 -28.89 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.35 110.952 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -70.69 -32.84 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.995 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 21.4 mm -61.07 -29.65 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.756 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.86 -55.43 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 65.55 110.61 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.46 -28.81 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.997 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.07 -41.66 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 70.32 110.836 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -63.57 -36.55 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.11 110.934 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.25 -41.21 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.009 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -60.8 -37.64 82.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 110.892 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 78' ' ' PHE . 52.2 mt -70.04 -49.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 71.03 111.09 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -35.46 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 75.1 110.949 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -58.02 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.855 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 72' ' ' MET . 54.5 t -58.05 -59.18 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.023 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -25.71 67.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.42 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t70 63.58 43.5 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 63.42 110.803 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -174.3 154.29 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.94 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -34.49 29.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 54.14 110.756 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -75.43 98.48 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 60.31 110.716 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 110' ' ' PRO . 58.9 t -139.57 136.9 18.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.887 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.521 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.2 Cg_endo -71.89 101.13 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.784 2.322 . . . . 54.43 112.128 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.627 ' HG3' HG21 ' A' ' 139' ' ' ILE . 15.5 ptp -145.39 168.73 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -145.31 145.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 75.05 111.058 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' A' ' 134' ' ' ALA . 8.0 tp -108.9 107.85 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 62.45 110.928 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.697 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.5 t -100.34 150.5 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 64.0 111.182 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.99 100.2 1.02 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 73.23 112.429 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -76.71 168.57 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 74.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mttp 60.56 64.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.4 110.971 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.26 -15.11 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 62.42 111.164 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -88.85 -25.91 21.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.299 . . . . 71.45 111.134 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 120' ' ' LEU . 21.1 mt -53.02 150.91 5.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 50.21 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.1 31.04 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.154 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.02 70.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.11 111.114 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.802 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -82.99 84.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.8 p -56.51 -34.81 67.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 87' ' ' THR . 99.5 t -110.47 124.11 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.5 162.4 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 71.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.6 t -70.33 -38.47 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 111.009 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -55.75 -46.09 77.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -63.31 -38.32 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.8 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.096 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.427 ' HG2' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -68.61 -31.02 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.03 110.871 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.21 -43.68 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.74 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.568 HD11 ' OH ' ' A' ' 137' ' ' TYR . 15.6 tp -72.73 -48.72 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.43 110.706 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.433 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.11 -39.91 76.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 64.33 111.079 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -64.84 -29.82 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.941 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -72.75 -35.29 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.584 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.568 ' OH ' HD11 ' A' ' 133' ' ' LEU . 20.2 m-85 -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 73.4 111.019 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.9 17.6 65.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.717 -0.754 . . . . 60.22 112.544 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.627 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.2 pt -112.52 156.86 41.66 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 72.1 111.399 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.7 Cg_endo -70.04 157.04 61.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.608 2.205 . . . . 72.35 112.436 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.427 ' CD2' ' HG2' ' A' ' 131' ' ' GLN . 80.8 t80 -129.19 116.88 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 75.51 110.548 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 158' ' ' THR . 2.9 mp -119.94 156.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.195 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.439 ' N ' HG22 ' A' ' 142' ' ' ILE . 15.0 mt-10 -114.41 134.05 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.868 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.7 p -144.14 166.86 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 73.25 111.05 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 p -137.72 113.53 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.845 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.79 -23.7 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.402 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.135 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.72 -20.0 61.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 63.24 111.292 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 66.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 73.3 110.787 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.85 125.2 50.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 65.31 110.829 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.55 23.35 27.69 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.697 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.417 HG11 ' HB2' ' A' ' 22' ' ' GLN . 23.9 t -57.73 -55.9 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 65.34 111.052 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.7 -25.95 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 70.32 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.65 -50.6 72.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 71.44 110.851 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -59.21 -47.29 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.45 110.923 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE1' HD12 ' A' ' 55' ' ' ILE . 26.3 m-85 -58.04 -50.48 73.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.779 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -54.05 -33.98 58.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 63.34 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.942 HG21 HD11 ' A' ' 142' ' ' ILE . 5.0 m -58.04 -42.84 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -53.95 -43.52 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.924 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 46' ' ' ILE . 38.7 t -53.88 -55.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 70.51 111.145 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -52.77 -40.44 63.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.084 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.41 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 110' ' ' PRO . 27.4 mt -65.32 -44.62 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.31 111.196 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -49.91 56.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.354 -0.384 . . . . 74.42 111.084 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.44 -27.34 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.942 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 74.32 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 50' ' ' THR . 7.2 tpp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 70.24 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -125.93 144.21 50.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 72.13 110.793 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.82 110.48 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 71.11 110.825 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 21.6 m-85 -101.87 107.62 18.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 1.2 mmtm -89.18 95.4 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 70.44 110.817 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 55' ' ' ILE . 62.7 mt -90.01 110.2 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.12 111.045 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.85 104.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.14 111.047 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.95 119.71 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 79' ' ' LEU . 29.6 m -130.58 150.25 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 71.43 111.046 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.42 -73.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.635 -0.793 . . . . 34.41 112.549 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -179.46 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 73.32 111.074 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.81 -29.07 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 73.1 112.449 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' HA2' ' O1A' ' A' ' 201' ' ' GNP . . . -136.89 32.37 2.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 42.15 112.471 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.44 -26.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 51.2 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.11 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 63.24 112.635 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -60.76 -43.96 97.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 75.25 110.736 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -63.48 -43.0 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.77 -43.18 94.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 70.23 111.148 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD2' HG13 ' A' ' 152' ' ' VAL . 12.4 mt -68.61 -29.09 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HG21 ' A' ' 55' ' ' ILE . 90.6 m -67.4 -56.6 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.967 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' HIS . 44.8 mm -54.17 -29.75 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 44.32 111.277 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.7 ' CB ' HG11 ' A' ' 152' ' ' VAL . 38.8 mm-40 -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.946 0.403 . . . . 64.44 110.593 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -67.33 -17.22 64.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.544 . . . . 71.44 111.165 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 42.0 mm -90.81 -69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 73.24 111.79 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.63 -14.28 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.441 -0.345 . . . . 64.45 111.688 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 68.0 35.46 3.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 41.43 110.831 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.426 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.3 p-80 -132.51 157.7 43.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 72.55 110.807 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -77.09 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 71.43 110.479 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 303' ' ' HOH . 10.6 t -52.49 105.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 75.4 111.319 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -116.4 -37.18 3.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.702 . . . . 75.11 110.894 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -148.58 121.2 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 73.55 110.666 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' HG13 ' A' ' 29' ' ' VAL . 34.6 p90 -145.75 172.66 12.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.12 110.891 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.85 94.56 9.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.12 110.809 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.77 -167.33 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.54 2.16 . . . . 73.32 112.294 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t 64.29 23.08 12.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.42 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.8 pp -156.83 -178.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 63.54 110.956 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.72 108.03 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 73.11 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.57 64.23 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.842 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.9 p -110.17 144.19 39.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 52.02 110.987 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 10.9 m-85 -139.27 127.42 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 72.01 110.806 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' A' ' 52' ' ' LEU . 41.3 ptt180 -108.75 127.42 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 74.31 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.66 145.97 50.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.32 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -92.25 131.98 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 61.22 110.727 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.716 HG21 HD11 ' A' ' 53' ' ' LEU . 21.9 m -145.92 179.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 40.53 111.226 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -126.7 100.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.52 111.048 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.754 ' CD1' HG21 ' A' ' 160' ' ' VAL . 30.3 mt -116.95 136.98 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 65.03 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.21 28.25 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.921 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.72 32.02 77.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 42.5 112.551 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -146.08 106.39 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.53 111.002 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' SD ' ' A' ' 1' ' ' MET . 85.1 m -61.76 125.66 24.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 55.04 110.739 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 96.5 m -148.83 163.65 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 43.32 111.074 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -87.09 148.16 25.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 75.55 110.596 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' VAL . 65.2 mt -121.98 81.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 75.11 111.108 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 98.31 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.821 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.681 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.1 mm -89.03 112.01 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.17 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.3 OUTLIER -97.6 118.99 35.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 72.21 110.53 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.6 97.3 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.643 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.494 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.9 p -75.2 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.935 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.45 120.5 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 53.51 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.82 -24.22 72.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 64.24 112.592 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -170.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 75.22 111.007 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.46 150.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.952 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.59 127.63 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 61.4 110.785 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CG ' ' HG3' ' A' ' 67' ' ' MET . 0.2 OUTLIER -176.17 37.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.34 110.888 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -35.59 65.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 73.23 110.767 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' O3A' ' A' ' 203' ' ' KOB . . . -57.54 -28.46 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 44.23 110.746 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.484 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.0 mmt -78.37 -38.43 41.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 74.35 110.386 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -59.76 4.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.772 -0.649 . . . . 54.51 111.476 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -49.46 -27.14 3.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 64.33 111.63 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.835 ' NE2' ' H5 ' ' A' ' 203' ' ' KOB . 6.7 tp60 -81.65 -38.37 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.416 -0.356 . . . . 75.02 111.267 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 67' ' ' MET . 21.4 m-85 -68.33 -36.17 78.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 74.33 111.548 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -66.54 -38.17 86.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.012 0.434 . . . . 64.44 110.266 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -79.06 -14.79 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 72.31 111.492 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' GLN . 76.0 p -100.6 -21.12 15.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.788 0.328 . . . . 72.3 110.819 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -90.98 149.72 20.1 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.831 -0.7 . . . . 61.52 113.172 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.03 -18.11 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 75.11 110.789 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.93 164.63 32.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.02 -0.61 . . . . 74.14 112.166 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 100' ' ' ILE . 15.4 m-85 -128.28 142.92 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 72.35 111.17 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.113 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -115.04 117.16 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 72.43 110.814 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.801 ' HB3' HD12 ' A' ' 93' ' ' ILE . 85.3 m -95.74 104.16 16.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 64.42 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.82 132.9 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.91 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HZ ' ' HB2' ' A' ' 130' ' ' ALA . 31.7 p90 -144.85 152.39 40.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.796 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.7 123.78 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 72.11 111.024 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.9 pt -57.88 -30.3 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 64.35 110.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.53 -16.77 62.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.851 -0.613 . . . . 73.4 111.076 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.49 104.38 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 74.43 111.007 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 m -65.42 -25.2 67.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 62.55 110.939 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -68.03 -41.91 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 53.12 110.68 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -58.89 -37.45 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.81 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.433 ' CE1' HD22 ' A' ' 133' ' ' LEU . 87.7 t80 -61.04 -28.08 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 73.32 110.77 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.7 -37.34 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 62.31 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.801 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.3 mm -59.66 -27.38 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 70.31 110.819 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.61 -55.36 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.14 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -30.03 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.445 -0.343 . . . . 63.02 111.116 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -63.28 -43.78 96.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 73.34 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.408 HH21 HD11 ' A' ' 139' ' ' ILE . 25.5 ttm105 -61.3 -38.39 86.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 74.24 111.065 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.18 -29.03 44.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.046 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -43.27 45.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.749 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 78' ' ' PHE . 61.9 mt -59.61 -50.45 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.982 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 107' ' ' ASP . 14.2 mtmt -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.01 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 64.03 111.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 72' ' ' MET . 47.6 t -58.39 -52.14 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 73.44 111.051 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -22.46 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 71.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.0 t0 64.38 47.93 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 51.55 110.736 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.27 136.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 52.42 110.737 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 p-10 -70.78 -37.59 73.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.054 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -93.38 91.09 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.183 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.9 m -115.32 153.36 47.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.879 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.6 Cg_endo -70.83 105.99 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.492 2.128 . . . . 75.4 112.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.63 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.8 ptp -154.29 170.74 20.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 55.13 110.926 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -140.54 149.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 42.55 111.139 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.0 tp -113.46 103.25 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.83 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.729 HG21 ' HB1' ' A' ' 155' ' ' ALA . 20.1 t -102.0 145.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.219 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.32 90.01 0.54 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.418 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.72 168.92 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.4 111.027 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt 61.96 67.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 64.4 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.7 t -104.47 -14.98 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 44.14 111.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -85.42 -24.55 27.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 55.43 111.151 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.86 165.38 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.35 . . . . 75.3 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.46 26.21 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 32.32 111.485 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -147.02 65.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 70.24 110.986 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.743 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.2 ptp85 -79.35 124.89 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 74.25 111.264 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.2 p -94.79 -41.32 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 75.43 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.03 94.17 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.022 -0.536 . . . . 73.43 110.666 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.86 157.93 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 74.52 111.036 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 p -56.84 -29.85 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 62.33 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -59.55 -43.14 93.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -34.29 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.999 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.466 ' HB2' ' HZ ' ' A' ' 82' ' ' PHE . . . -79.57 -36.53 38.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 71.21 111.085 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.59 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.88 -29.14 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.843 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.433 HD22 ' CE1' ' A' ' 90' ' ' PHE . 15.0 tp -80.45 -50.42 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.894 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.487 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.8 -44.75 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 53.21 111.114 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -31.28 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.12 110.566 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -74.87 -27.91 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.603 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.4 -17.26 39.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 61.44 111.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.42 15.64 61.74 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.386 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.63 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.7 pt -112.6 156.85 41.76 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.763 0.316 . . . . 64.42 111.515 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HG2' HG13 ' A' ' 112' ' ' VAL . 59.8 Cg_endo -73.06 153.62 52.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.586 2.19 . . . . 73.32 112.327 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -123.56 117.92 26.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.692 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.851 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.16 158.15 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.107 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.462 ' N ' HG22 ' A' ' 142' ' ' ILE . 5.4 mt-10 -123.84 131.51 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.828 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 64.15 111.063 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.416 ' HG ' ' HG1' ' A' ' 148' ' ' THR . 2.1 p -142.29 114.54 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.52 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.81 -20.75 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.53 111.46 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -85.91 -66.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.341 . . . . 60.23 111.236 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.416 ' HG1' ' HG ' ' A' ' 145' ' ' SER . 5.3 p -70.89 -20.62 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.264 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 64.66 67.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 71.41 110.746 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.66 121.52 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.02 110.974 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 144' ' ' THR . . . 53.3 27.32 31.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 55.33 112.794 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 19' ' ' LEU . 41.1 t -56.26 -55.27 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 64.31 111.108 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 23' ' ' LEU . 59.8 mt-10 -66.79 -27.88 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.3 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -36.44 73.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 71.24 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -71.43 -48.39 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.035 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.666 ' CB ' HD13 ' A' ' 23' ' ' LEU . 47.7 m-85 -61.19 -48.44 81.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.786 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.1 m-85 -50.48 -31.27 14.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 64.25 110.95 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 142' ' ' ILE . 6.4 m -60.4 -39.18 86.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.109 -0.496 . . . . 63.02 110.86 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.113 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.09 -48.01 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 75.23 110.953 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.754 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.8 t -57.89 -38.87 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 63.14 111.051 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -69.82 -30.05 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.85 -50.2 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 52.42 110.838 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 110' ' ' PRO . 20.0 mt -62.17 -45.06 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.179 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -57.54 -44.56 85.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.978 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -79.17 -21.36 46.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.03 111.179 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.15 -0.929 . . . . 74.31 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.489 ' O3A' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 0.835 ' H5 ' ' NE2' ' A' ' 70' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.433 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.495 ' O ' HG21 ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.807 0.337 . . . . 52.34 111.155 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 149.8 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.701 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.34 109.53 21.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 41.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -97.01 129.32 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.715 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -106.2 93.55 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.989 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 159' ' ' LEU . 27.1 mt -100.56 132.04 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 70.3 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 56' ' ' LEU . 15.4 m -109.14 137.38 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.24 111.226 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 16' ' ' LYS . 22.0 t -115.71 123.45 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.987 -0.551 . . . . 65.45 111.2 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.6 m -104.16 166.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 75.25 110.979 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.28 169.08 41.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.652 -0.785 . . . . 74.11 112.541 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.69 27.68 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 65.04 111.247 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.31 60.27 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.696 -0.764 . . . . 62.53 112.801 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.89 31.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 64.4 112.214 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 m -106.67 -22.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 62.21 111.241 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.24 11.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.671 -0.776 . . . . 65.15 112.398 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HB2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -63.35 -32.34 73.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 71.23 110.83 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 303' ' ' HOH . 11.4 p -76.32 -43.76 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.22 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -55.51 -34.77 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 21.32 111.187 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.2 -36.22 81.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 55.52 110.767 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.671 HG23 ' CG2' ' A' ' 55' ' ' ILE . 90.0 m -70.51 -55.62 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 70.24 111.057 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.16 -30.44 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.371 -0.377 . . . . 72.31 110.958 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -59.94 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 74.24 110.625 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HG3' ' A' ' 153' ' ' GLU . 58.0 tp -76.68 -11.38 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 73.13 111.285 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -103.22 -72.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.713 0.292 . . . . 73.41 111.435 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -92.57 -12.67 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 75.33 111.516 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 43.64 32.0 0.51 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.855 0.359 . . . . 71.12 111.347 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -113.61 -12.29 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 60.31 111.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.7 OUTLIER 75.49 125.83 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.428 -0.351 . . . . 73.4 110.748 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 32' ' ' TYR . 25.2 t -53.27 145.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 53.43 111.194 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.29 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.679 -0.692 . . . . 74.53 110.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 77.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 70.44 110.752 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' CD1' HG13 ' A' ' 29' ' ' VAL . 2.7 p90 -140.19 175.72 9.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.997 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.48 92.76 8.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.718 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 36' ' ' ILE . 59.6 Cg_endo -74.72 179.54 5.89 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.629 2.219 . . . . 72.53 112.37 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t 69.2 12.4 8.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 52.25 111.231 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.2 pp -127.63 -3.66 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.548 -0.296 . . . . 71.41 111.768 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 55.09 67.17 1.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.877 0.37 . . . . 60.51 111.017 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' CB ' HD11 ' A' ' 36' ' ' ILE . 5.4 t0 -83.56 61.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.934 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 t -57.42 160.86 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.817 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -131.28 168.02 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.961 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HB2' HD12 ' A' ' 52' ' ' LEU . 26.4 ptt-85 -145.66 116.02 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.23 110.941 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -107.42 131.3 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 73.53 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' A' ' 52' ' ' LEU . 4.7 tt0 -88.13 119.69 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.803 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.65 -179.29 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.242 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.2 p -128.0 102.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.147 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 160' ' ' VAL . 20.8 mt -111.71 135.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.086 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.99 31.35 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.51 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.7 84.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 65.12 112.5 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -144.63 108.4 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 75.23 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -60.5 120.03 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.785 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.8 m -144.65 149.45 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.925 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.34 145.52 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.833 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 46' ' ' ILE . 29.4 mt -120.01 84.06 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.811 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.7 90.6 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 20' ' ' THR . 24.3 mm -78.38 114.82 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.778 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.909 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -98.27 121.57 40.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.026 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.63 101.87 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.723 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.423 ' CG2' HD21 ' A' ' 56' ' ' LEU . 14.6 p -79.6 -173.88 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.056 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.5 135.61 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 73.2 111.157 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.44 12.78 68.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 62.55 112.761 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -149.11 -168.73 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.332 . . . . 64.34 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 15.93 9.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.193 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 46.68 91.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.898 0.38 . . . . 71.4 111.183 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 0.1 OUTLIER -135.22 29.48 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.961 -0.563 . . . . 74.51 110.736 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -56.01 -32.41 63.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 75.2 110.283 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -27.78 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 64.34 110.631 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.705 ' HE2' ' N6 ' ' A' ' 203' ' ' KOB . 2.0 mmt -84.05 -33.72 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.82 -0.627 . . . . 72.53 110.674 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -55.92 -56.91 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 73.32 111.361 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.25 -30.15 2.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.96 0.41 . . . . 72.25 110.752 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HG2' ' N8 ' ' A' ' 203' ' ' KOB . 6.1 tp60 -79.71 -44.79 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 71.34 110.172 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 56' ' ' LEU . 37.7 m-85 -56.44 -30.84 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.53 . . . . 73.13 111.111 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -74.0 -38.84 63.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 73.35 109.823 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -81.48 -21.01 38.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.641 -0.709 . . . . 72.14 111.225 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -98.0 0.49 46.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.558 -0.292 . . . . 54.22 110.73 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -114.82 150.17 18.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.688 -0.768 . . . . 51.04 113.289 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -19.3 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 75.12 110.556 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -147.26 178.28 24.99 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.993 -0.622 . . . . 34.13 112.282 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 72' ' ' MET . 45.9 m-85 -143.01 133.31 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.24 111.067 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.89 123.61 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 62.21 110.756 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.875 ' HB3' HD12 ' A' ' 93' ' ' ILE . 91.1 m -96.86 116.32 28.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.55 110.928 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.45 117.22 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.4 111.185 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.89 141.22 47.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.566 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.25 123.59 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 70.22 111.098 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.4 pt -59.32 -21.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.3 111.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.8 -34.9 51.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 74.32 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -99.37 114.23 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.3 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -72.25 -28.1 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 70.51 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -61.13 -39.44 90.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.372 -0.376 . . . . 74.24 110.553 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.1 m -63.24 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.707 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -62.84 -43.26 99.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 65.55 110.746 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.05 -27.5 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 50.35 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -69.11 -34.7 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 75.21 110.923 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.875 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.0 mm -60.69 -25.75 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.4 110.859 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -77.54 -55.37 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.791 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -28.27 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 73.34 111.039 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.78 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 73.21 110.948 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.82 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.685 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.0 -31.52 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 40.22 110.98 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -39.28 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HE1' ' A' ' 111' ' ' MET . 50.7 mt -69.96 -45.79 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.12 111.051 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -55.25 -27.56 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.945 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -74.91 -57.82 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.896 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.17 -53.61 46.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -27.97 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.972 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t70 63.51 47.17 3.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -173.27 141.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -74.76 -35.87 62.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.54 85.68 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 153.35 51.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 61.3 111.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.27 108.99 2.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.589 2.193 . . . . 73.53 112.363 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 139' ' ' ILE . 6.0 ptp -160.41 170.0 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.811 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.8 t -147.11 149.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 71.22 111.373 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 93' ' ' ILE . 5.5 tp -109.15 102.89 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 73.21 110.576 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.74 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.1 t -92.45 144.82 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.296 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.21 88.57 0.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.825 -0.702 . . . . 73.01 112.375 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.615 HD21 ' HB2' ' A' ' 146' ' ' ALA . 7.3 t-20 -67.04 173.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.11 111.022 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 84' ' ' ILE . 8.1 mptt 58.88 61.53 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.944 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.7 -0.05 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.34 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -102.59 -28.89 11.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.768 0.318 . . . . 63.05 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -54.9 150.36 10.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.032 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.26 35.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 52.03 111.274 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.13 71.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.3 111.072 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -94.98 109.88 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.761 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.9 p -84.0 -56.02 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.664 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.6 t -79.78 105.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.905 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.48 160.85 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.962 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.7 m -63.83 -38.56 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.41 111.022 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.26 -46.54 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.961 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -62.72 -41.6 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.957 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.43 81.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.183 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -30.23 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.022 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.75 -35.83 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 65.02 110.965 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -81.28 -51.5 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.52 111.025 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.39 69.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 61.04 111.124 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.66 -31.67 70.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 54.34 110.801 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -72.1 -40.6 68.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -67.56 -22.29 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 74.4 111.005 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.11 17.62 64.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.02 112.43 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.598 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -110.42 157.02 39.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 64.42 111.452 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.3 Cg_endo -70.78 151.58 63.38 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 54.02 112.234 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -123.19 118.13 26.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.955 HD11 HG21 ' A' ' 158' ' ' THR . 5.0 mp -120.95 143.97 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.908 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -112.79 132.17 55.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -144.56 -178.18 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 74.52 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 65.32 110.947 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.615 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -65.66 -20.63 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 43.21 111.437 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 70.23 111.244 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 p -70.96 -23.59 62.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 72.13 111.23 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.69 66.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 73.05 110.717 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.18 121.64 41.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 51.23 110.9 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.51 57.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.763 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 37.3 t -56.4 -55.15 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.917 0.389 . . . . 72.41 111.053 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.0 mp0 -61.47 -28.91 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 74.03 110.794 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.76 63.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.74 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -54.2 -37.51 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.401 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.86 -50.27 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 65.23 111.009 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 21.1 m-85 -56.12 -28.55 58.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 70.42 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.955 HG21 HD11 ' A' ' 142' ' ' ILE . 1.9 m -58.37 -43.04 88.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 73.12 110.809 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.58 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.0 tp -60.34 -47.13 87.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 46' ' ' ILE . 38.8 t -50.57 -46.59 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 54.33 111.154 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -37.58 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.736 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.99 -48.34 71.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.773 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.19 -49.98 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.094 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.68 -45.1 66.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.953 -0.567 . . . . 72.41 111.212 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.56 -24.47 42.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 75.14 111.188 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.238 -0.887 . . . . 71.3 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.486 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.335 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.419 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.413 ' O ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.656 ' SD ' HG22 ' A' ' 50' ' ' THR . 5.8 tpp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.964 0.411 . . . . 70.12 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.16 149.95 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 72.11 110.462 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.28 120.36 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -108.29 114.62 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.964 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.641 ' HE3' ' HE1' ' A' ' 203' ' ' KOB . 0.4 OUTLIER -88.16 99.7 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.94 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 159' ' ' LEU . 9.6 mt -87.9 112.24 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.806 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.19 102.04 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -84.13 137.39 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.975 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -148.34 152.57 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 70.1 110.983 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -160.27 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 45.53 112.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . 176.79 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.681 0.277 . . . . 74.14 111.356 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.35 54.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.789 -0.72 . . . . 62.42 112.196 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.43 -22.82 0.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.837 -0.697 . . . . 34.2 112.61 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.8 m -50.31 -26.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.751 0.31 . . . . 72.12 111.44 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 22.03 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 62.22 112.703 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -39.36 87.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 75.4 110.7 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.51 110.808 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HA ' HG23 ' A' ' 29' ' ' VAL . . . -59.26 -59.91 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 31.5 111.368 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.751 HD22 HG13 ' A' ' 152' ' ' VAL . 58.7 mt -57.42 -29.27 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.055 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.687 HG23 HG21 ' A' ' 55' ' ' ILE . 87.5 m -63.18 -45.9 89.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 43.23 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.769 HG21 ' CE1' ' A' ' 27' ' ' HIS . 41.2 mm -71.39 -33.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.171 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -58.42 -41.94 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -69.22 -32.25 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.12 111.07 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -82.28 -69.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.14 111.431 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 43.7 mt-30 -94.56 -97.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.488 -0.323 . . . . 62.15 110.935 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 163.11 70.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.802 0.334 . . . . 65.42 110.626 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.769 ' CE1' HG21 ' A' ' 21' ' ' ILE . 17.0 p80 -174.98 175.73 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 71.53 111.25 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -88.89 138.51 31.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 73.12 110.617 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG23 ' HA ' ' A' ' 18' ' ' ALA . 39.5 t -57.55 149.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 73.44 111.059 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 t70 177.5 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 65.11 110.6 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.76 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 74.05 110.931 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -140.42 170.99 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.891 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.588 ' OD1' HD11 ' A' ' 36' ' ' ILE . 9.2 p30 -106.7 90.91 5.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.935 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.11 -21.97 35.74 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.573 2.182 . . . . 63.13 112.386 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -18.22 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 44.44 111.255 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.588 HD11 ' OD1' ' A' ' 33' ' ' ASP . 2.9 pp -125.85 172.93 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 74.05 111.243 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.8 mt-10 -55.82 126.96 27.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 60.34 111.043 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.85 51.57 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.918 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -103.46 158.05 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 62.11 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' OH ' HD11 ' A' ' 21' ' ' ILE . 7.8 m-85 -144.57 161.61 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 73.52 110.921 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -135.63 131.28 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.059 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -145.61 146.59 31.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.88 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.23 137.25 34.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 75.32 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 53' ' ' LEU . 27.3 m -145.63 176.14 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 73.51 111.116 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.94 101.52 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.161 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CD1' HG21 ' A' ' 160' ' ' VAL . 23.6 mt -127.5 138.18 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.068 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.56 30.31 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.911 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.07 30.53 73.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 44.43 112.51 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -141.67 98.13 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 71.15 110.964 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 ' SD ' ' A' ' 1' ' ' MET . 87.8 m -60.87 120.09 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.808 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.1 m -145.46 155.33 43.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.036 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -78.42 148.63 33.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.779 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 44' ' ' VAL . 24.9 mt -114.3 89.27 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.83 96.19 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.782 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.687 HG21 HG23 ' A' ' 20' ' ' THR . 22.9 mm -80.52 114.77 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 60.22 111.082 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.0 tm? -103.86 106.3 16.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.692 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.7 114.05 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.902 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 p -78.75 -173.75 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 53.34 110.805 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 149.33 27.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.215 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.95 -3.91 22.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.859 -0.686 . . . . 71.14 112.685 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -128.28 39.4 3.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 62.42 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.67 148.96 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 70.01 110.883 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 -79.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.785 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 49.94 35.0 8.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 75.52 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.6 p -57.31 -34.37 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.53 110.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.5 -46.97 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.03 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.698 ' HE2' ' N6 ' ' A' ' 203' ' ' KOB . 4.7 ptp -83.88 -30.93 26.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 75.23 110.872 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 36.7 ttp85 -52.38 -42.66 64.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.718 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -66.02 -39.22 90.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.522 . . . . 75.5 110.385 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.838 ' O ' HG23 ' A' ' 74' ' ' THR . 10.8 tt0 -61.14 -39.39 89.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.31 110.638 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.901 ' CE1' ' HD1' ' A' ' 203' ' ' KOB . 44.6 m-85 -57.83 -33.72 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.085 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.88 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -69.68 -40.1 76.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.046 0.451 . . . . 73.11 109.87 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 44.3 mtm-85 -81.28 -12.99 58.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.822 -0.626 . . . . 72.54 111.271 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.1 p -97.81 -19.67 18.01 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.843 0.354 . . . . 74.34 110.718 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -95.93 158.4 21.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.689 -0.767 . . . . 34.13 113.408 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 163' ' ' ILE . 2.3 mt-10 -101.56 -15.47 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 45.22 110.742 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.79 163.47 29.36 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.91 -0.662 . . . . 64.44 112.376 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 4.5 m-85 -130.93 143.31 50.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 72.52 111.214 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.039 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -126.86 117.7 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 63.42 110.887 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.06 102.83 14.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' O ' HG21 ' A' ' 14' ' ' VAL . 8.7 p -111.74 129.48 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.54 111.167 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.455 ' HA ' HG11 ' A' ' 14' ' ' VAL . 31.2 p90 -143.54 163.55 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 54.33 110.82 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -96.9 129.17 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 51.03 111.004 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB2' ' A' ' 123' ' ' ARG . 7.6 pt -67.5 -31.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.21 111.258 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.417 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 3.4 p-10 -65.57 -19.6 65.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 62.44 111.043 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -121.11 104.95 10.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 71.31 110.829 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 125' ' ' VAL . 1.6 m -61.47 -27.23 68.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 62.25 111.08 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -55.27 -46.57 76.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 73.02 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.422 ' HB3' HG11 ' A' ' 14' ' ' VAL . 4.4 m -57.45 -40.96 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.642 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 133' ' ' LEU . 37.6 t80 -61.15 -27.0 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 73.1 110.566 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.76 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 60.51 110.853 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -75.12 -31.31 61.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.65 -36.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 75.53 110.643 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -64.42 -55.47 20.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 64.33 110.809 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -67.1 -29.9 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 70.3 111.189 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.75 -54.91 36.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 70.12 111.039 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.481 ' NH2' HD22 ' A' ' 113' ' ' LEU . 8.0 ttm-85 -50.84 -37.05 40.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 71.42 111.347 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.52 -37.92 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.381 . . . . 74.45 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -60.38 -29.06 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.45 111.012 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.428 HD12 ' HE1' ' A' ' 111' ' ' MET . 43.5 mt -74.96 -38.45 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.325 -0.398 . . . . 62.1 110.925 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.03 -54.19 44.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 74.12 111.014 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.16 76.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 71.41 111.414 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 72' ' ' MET . 72.3 t -63.5 -65.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 75.23 111.136 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.461 ' HD3' HG11 ' A' ' 109' ' ' VAL . 5.4 mtpm? -59.34 -23.22 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 73.33 111.051 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t0 63.32 52.11 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 50.4 110.938 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.31 150.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 61.32 110.825 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -88.24 -30.64 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -93.75 85.18 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 54.45 110.921 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 104' ' ' LYS . 11.9 m -124.38 152.56 68.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 63.35 111.095 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.18 107.08 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.572 2.181 . . . . 73.35 112.437 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.428 ' HE1' HD12 ' A' ' 100' ' ' ILE . 6.1 ptp -150.24 173.11 14.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 62.22 110.901 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.6 t -150.7 161.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 73.4 111.155 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 134' ' ' ALA . 4.8 tp -129.65 111.24 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.846 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG21 ' HB1' ' A' ' 155' ' ' ALA . 24.2 t -109.19 155.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 51.33 111.257 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.93 92.39 0.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 53.14 112.393 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 165.87 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 72.44 111.066 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.49 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mttt 60.89 58.97 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.85 -4.77 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 63.23 111.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.36 -15.02 15.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 64.52 111.343 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 117' ' ' LYS . 6.5 mt -49.81 151.16 1.88 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.798 0.332 . . . . 72.41 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -99.71 16.74 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.61 61.11 1.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.834 0.349 . . . . 41.02 111.042 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB2' HD12 ' A' ' 84' ' ' ILE . 7.6 ptp85 -79.53 156.18 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.024 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -125.34 -47.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 52.5 110.794 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 87' ' ' THR . 40.1 t -96.3 96.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.032 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -58.21 159.6 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 44.11 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.2 t -55.96 -29.83 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 65.42 111.066 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -59.78 -46.22 89.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.54 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.34 -31.71 73.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 51.44 110.999 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.74 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.33 111.159 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -32.21 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -67.73 -31.54 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.55 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 90' ' ' PHE . 20.9 tp -78.95 -51.28 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.74 -41.53 98.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 34.13 111.187 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -27.17 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.959 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -76.45 -33.73 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 70.15 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.436 ' HB2' HG12 ' A' ' 139' ' ' ILE . 22.2 m-85 -84.11 -4.95 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.407 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.81 21.89 75.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 62.22 112.544 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 137' ' ' TYR . 16.8 pt -112.8 153.85 45.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 73.21 111.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.512 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.0 Cg_endo -71.08 163.81 37.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.526 2.151 . . . . 65.32 112.193 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 122.59 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 65.21 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.679 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.89 156.46 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.953 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.8 mp0 -124.28 123.51 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.801 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 44.8 p -135.9 177.41 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.51 111.088 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -149.6 114.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 40.44 110.865 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.43 -25.12 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.403 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -80.06 -66.29 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 75.2 111.202 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 p -72.83 -18.05 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 62.21 111.416 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.497 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 62.88 65.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 64.4 110.678 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 126.35 54.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 52.21 111.116 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 49.71 26.52 7.95 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.969 -0.634 . . . . 75.33 112.891 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.751 HG13 HD22 ' A' ' 19' ' ' LEU . 26.7 t -56.67 -55.33 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 52.41 111.117 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.0 mt-10 -65.61 -27.17 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 62.1 110.851 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -40.15 75.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.911 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -69.24 -48.56 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.008 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.85 -47.16 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 63.24 110.79 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.7 m-85 -53.39 -34.58 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 73.35 110.955 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 142' ' ' ILE . 3.1 m -59.13 -35.11 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 54.31 110.886 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.039 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.17 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.54 110.866 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 46' ' ' ILE . 22.0 t -57.98 -36.86 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 63.31 111.003 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.12 -28.57 64.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.13 110.766 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -74.2 -50.29 19.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.942 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 76' ' ' GLU . 15.5 mt -59.54 -45.75 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.311 -0.404 . . . . 61.15 111.134 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -43.39 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.989 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.44 6.78 39.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.35 111.541 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.889 . . . . 62.14 110.825 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.616 ' N3B' ' O ' ' A' ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.393 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 302' ' ' HOH . . . . . 0.616 ' O ' ' N3B' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.571 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 53.14 111.228 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -65.49 149.77 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 72.33 110.549 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -106.86 119.63 39.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.984 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.5 m-85 -107.66 108.59 19.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 74.31 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' HE3' ' HE1' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -92.33 98.37 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 75.53 111.025 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.786 HD22 HD13 ' A' ' 159' ' ' LEU . 39.0 mt -88.44 106.59 18.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 62.05 110.819 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.19 102.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 74.51 110.959 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.13 123.17 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 63.42 111.273 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -122.32 150.36 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 176.95 39.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 53.12 112.476 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -96.96 135.74 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.33 111.208 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 114.46 1.85 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.956 -0.64 . . . . 55.31 112.629 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' HNB3 ' A' ' 201' ' ' GNP . . . 109.6 12.58 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 70.12 112.424 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 11' ' ' ALA . 29.1 m -98.61 -26.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 42.41 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.8 15.33 31.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.05 112.603 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' H ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.343 . . . . 72.24 110.735 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -81.56 -31.75 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 64.42 110.849 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' HE1' ' A' ' 28' ' ' PHE . . . -58.36 -49.74 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 42.42 111.285 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.963 HD22 HG13 ' A' ' 152' ' ' VAL . 74.4 mt -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 75.22 111.069 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.808 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -62.71 -58.6 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.358 -0.383 . . . . 64.21 111.01 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -58.7 -28.59 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.265 -0.425 . . . . 75.42 111.072 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -58.91 -48.15 82.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 61.21 110.795 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 tp -75.87 -10.46 59.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 72.5 111.221 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.42 -69.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 73.14 111.337 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -97.24 -27.03 14.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 63.01 111.198 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.81 24.52 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.802 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 2.7 p-80 -105.29 -10.27 17.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 75.42 111.222 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' CZ ' " O2'" ' A' ' 201' ' ' GNP . 10.9 t80 74.7 127.9 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.302 -0.408 . . . . 74.21 111.069 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 32' ' ' TYR . 24.8 t -57.07 144.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.294 -0.412 . . . . 74.41 110.556 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 16.3 t70 174.88 -34.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 72.02 110.684 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.8 26.58 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.347 . . . . 73.25 111.111 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 29' ' ' VAL . 27.2 p90 -61.04 163.14 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 73.35 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.95 128.41 92.93 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 70.33 110.953 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.38 -40.69 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.431 2.087 . . . . 75.51 112.189 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -175.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 70.41 110.863 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt 46.58 -170.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.34 111.61 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.61 155.07 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.962 -0.563 . . . . 71.34 110.972 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.26 62.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.33 111.038 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -119.34 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 72.0 110.783 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -142.86 128.96 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.933 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' HB2' HD12 ' A' ' 52' ' ' LEU . 22.6 ptt180 -111.75 138.69 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 45.31 110.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -133.23 146.43 51.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.813 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -96.33 120.25 36.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.004 -0.544 . . . . 63.14 110.773 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.98 176.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.406 . . . . 64.22 111.29 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 t -122.41 100.84 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 70.33 110.887 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.582 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -116.49 132.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.152 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.87 35.77 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.15 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.29 35.59 79.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 74.43 112.547 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -147.38 110.31 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 73.32 110.871 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -59.03 119.93 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.754 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.31 148.84 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.051 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -85.77 137.96 32.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 72.13 110.745 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 53' ' ' LEU . 21.1 mt -107.91 76.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.991 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.92 90.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.837 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.808 HG21 HG23 ' A' ' 20' ' ' THR . 27.5 mm -77.2 112.74 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 70.01 111.038 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.956 HD21 ' CE1' ' A' ' 71' ' ' TYR . 1.1 tm? -106.27 114.52 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.31 110.427 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -112.82 135.41 53.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -80.31 -173.72 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.05 161.49 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 111.265 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.96 -28.91 5.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.126 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -123.08 134.28 54.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 63.21 110.47 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 62.15 116.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 65.4 110.703 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.54 108.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 63.13 110.964 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -154.15 -86.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 72.11 111.191 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.56 -50.1 33.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.791 0.329 . . . . 71.21 111.176 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.26 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.08 0.466 . . . . 74.01 110.934 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.801 ' HE3' ' N6 ' ' A' ' 203' ' ' KOB . 4.9 mmm -84.17 -22.63 30.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.636 -0.711 . . . . 73.12 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -53.79 -47.01 71.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 64.52 110.967 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -28.77 23.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.77 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.609 ' HG3' ' S7 ' ' A' ' 203' ' ' KOB . 13.3 tp60 -82.54 -46.35 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 72.11 110.61 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.956 ' CE1' HD21 ' A' ' 56' ' ' LEU . 53.6 m-85 -56.69 -38.69 72.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.312 -0.404 . . . . 73.31 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.438 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -68.76 -53.01 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 54.54 110.206 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -64.72 -16.74 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.826 -0.624 . . . . 75.45 111.14 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.69 ' CB ' ' HE1' ' A' ' 203' ' ' KOB . 73.7 p -103.1 -0.77 30.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.375 -0.375 . . . . 73.53 111.126 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.43 157.61 15.01 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.549 -0.834 . . . . 71.53 112.947 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.8 -18.38 17.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 62.44 110.984 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.78 175.77 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.1 112.376 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CE1' HG23 ' A' ' 100' ' ' ILE . 30.1 m-85 -141.36 140.35 33.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 72.3 111.148 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -119.95 121.73 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 60.45 110.791 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 50.9 m -96.08 114.03 25.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 75.04 110.916 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.4 113.73 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 63.15 111.047 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.3 p90 -128.1 143.68 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 124.75 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 62.21 111.072 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -58.54 -31.12 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 74.34 110.944 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 122' ' ' ALA . 3.2 m120 -67.63 -17.56 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 62.33 111.035 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -120.3 110.31 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.406 -0.361 . . . . 62.41 110.808 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 125' ' ' VAL . 4.4 m -69.43 -25.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 75.03 111.153 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -61.4 -42.27 98.45 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.429 -0.35 . . . . 63.5 110.663 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -32.39 73.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.752 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.31 -51.99 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 63.34 110.773 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.17 -27.82 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 13.9 m-20 -70.6 -34.03 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 65.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 30.6 mm -60.03 -26.82 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 63.54 110.947 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -74.68 -55.46 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 72.44 110.762 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -65.87 -28.66 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.11 111.063 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.5 m-85 -58.99 -36.66 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 63.23 110.9 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -66.08 -35.82 81.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 71.34 110.706 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.95 -30.42 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -76.19 -37.01 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 78' ' ' PHE . 47.4 mt -70.01 -46.82 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.981 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -57.22 -34.57 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.967 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -58.94 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.973 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.9 t -62.12 -52.23 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.967 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -26.49 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t0 64.16 42.61 5.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 64.51 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -164.91 154.78 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -41.03 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.93 88.49 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.57 153.62 47.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 63.12 111.154 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.77 104.18 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 71.43 112.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -153.24 169.2 23.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.33 148.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 63.12 111.213 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 82' ' ' PHE . 3.6 tp -112.02 110.54 20.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.51 110.812 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.724 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.3 t -98.96 154.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.234 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.05 80.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 60.45 112.401 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.13 167.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 75.52 111.096 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.488 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 61.05 63.43 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.958 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 t -105.47 5.7 31.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.4 111.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.28 -29.79 8.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.823 0.344 . . . . 75.52 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.542 HD21 ' N2 ' ' A' ' 201' ' ' GNP . 28.5 mt -55.51 150.14 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 55.32 111.056 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.63 35.92 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 60.24 111.156 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.453 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . -143.2 52.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.747 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -74.8 139.22 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.925 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.6 p -111.86 -38.45 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.765 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 87' ' ' THR . 77.5 t -104.96 97.91 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.44 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.43 159.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.107 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 t -58.22 -48.49 80.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.315 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.31 -34.42 33.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 73.32 111.233 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.64 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.51 -34.58 41.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 65.42 110.852 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.696 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.92 -46.53 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.691 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.66 -45.8 60.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.637 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.77 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.521 . . . . 54.24 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -40.96 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.827 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -73.58 -30.35 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 54.32 110.729 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.435 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 3.8 m-30 -77.31 -24.57 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 73.45 111.047 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.87 17.53 65.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 53.31 112.639 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -114.71 156.94 44.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 64.53 111.538 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.11 155.5 61.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.541 2.161 . . . . 63.0 112.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -123.21 117.47 25.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.632 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 158' ' ' THR . 3.4 mp -122.46 152.41 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.137 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -116.87 133.29 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.773 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 35.1 p -141.91 173.25 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 65.52 111.248 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.17 118.94 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 32.15 110.67 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HB2' ' HG ' ' A' ' 19' ' ' LEU . . . -72.44 -21.59 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.516 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -82.96 -52.47 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 71.13 111.174 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -87.19 -19.24 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 65.15 111.397 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 152' ' ' VAL . 2.5 tmm_? 63.13 63.68 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.946 0.403 . . . . 74.35 110.659 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.97 117.74 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 71.25 111.022 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 67.91 11.54 60.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.796 -0.716 . . . . 73.34 113.035 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.963 HG13 HD22 ' A' ' 19' ' ' LEU . 41.2 t -56.92 -41.31 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-O 120.84 0.352 . . . . 52.21 111.298 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.6 mt-10 -69.74 -30.53 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -55.68 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 61.04 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.724 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -52.74 -42.45 64.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 72.12 111.379 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.11 -50.77 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.2 m-85 -57.24 -25.54 59.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.14 111.081 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 142' ' ' ILE . 6.5 m -57.5 -50.59 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 73.35 111.115 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.786 HD13 HD22 ' A' ' 6' ' ' LEU . 1.1 mt -53.87 -38.08 64.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.832 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 46' ' ' ILE . 39.9 t -58.41 -46.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.946 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.19 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.2 110.735 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.14 -51.01 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 72.2 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.555 HD11 HD22 ' A' ' 159' ' ' LEU . 55.1 mt -59.9 -44.37 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.029 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 72.02 110.799 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -104.12 25.27 10.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.037 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.256 -0.878 . . . . 74.0 111.031 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.542 ' N2 ' HD21 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.387 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 72.31 111.162 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.89 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.749 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.3 113.01 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -102.92 129.02 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.025 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.772 ' HE3' ' HE2' ' A' ' 203' ' ' KOB . 11.7 mmtm -102.42 106.06 16.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.79 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.1 mt -95.54 109.4 21.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.143 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 6.1 t -88.38 102.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 54.54 110.887 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.91 129.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 72.2 111.268 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.3 m -138.2 154.5 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.042 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -171.15 -163.95 26.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 44.05 112.486 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.29 22.31 9.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.702 0.287 . . . . 61.11 111.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.19 -62.54 1.75 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.814 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.19 38.31 3.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 60.45 112.833 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 11' ' ' ALA . 32.6 m -111.07 -27.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 71.01 111.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.94 26.23 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 74.54 112.494 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -65.03 -32.9 74.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.774 0.321 . . . . 72.22 110.816 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 303' ' ' HOH . 5.5 p -74.21 -30.57 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 53.32 110.876 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.18 -52.7 31.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.125 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG21 ' A' ' 81' ' ' VAL . 98.8 mt -57.21 -30.35 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.107 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.66 HG23 HG21 ' A' ' 55' ' ' ILE . 85.1 m -65.83 -48.25 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 41.13 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.615 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.6 mp -76.29 -31.37 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.765 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -61.21 -33.5 73.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 64.41 110.797 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -76.83 -48.37 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.938 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -72.28 -69.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.228 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.14 -119.62 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.393 -0.367 . . . . 72.03 110.685 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 p30 179.69 39.06 0.0 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.301 0.501 . . . . 74.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.9 p-80 -141.66 175.99 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 71.12 110.795 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 7.4 t80 -89.74 128.95 36.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.704 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG13 ' CD1' ' A' ' 32' ' ' TYR . 19.9 t -55.6 145.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.015 0.436 . . . . 75.45 110.998 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.3 t70 177.2 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.766 -0.652 . . . . 63.53 110.439 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.44 77.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.109 -0.496 . . . . 74.15 110.857 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.547 ' CD1' HG13 ' A' ' 29' ' ' VAL . 8.1 p90 -145.1 175.1 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.823 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.668 ' OD1' HD11 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -104.84 91.64 4.46 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 75.21 111.003 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.26 -27.14 24.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 72.41 112.367 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m -54.55 -65.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 65.04 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.668 HD11 ' OD1' ' A' ' 33' ' ' ASP . 2.6 pp -76.85 -177.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 71.14 110.823 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' CG ' ' HAC' ' A' ' 203' ' ' KOB . 18.5 mp0 -98.32 94.76 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 55.24 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -87.48 53.51 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.42 158.93 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 44.03 110.794 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.615 ' OH ' HD11 ' A' ' 21' ' ' ILE . 5.6 m-85 -128.77 158.28 39.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 74.42 110.741 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' HD12 ' A' ' 52' ' ' LEU . 52.2 mtm180 -138.43 106.4 5.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.973 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 52' ' ' LEU . 23.2 tttt -110.17 145.95 36.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.789 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -108.09 120.04 41.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.75 175.87 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 74.1 111.248 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.78 101.22 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 75.23 111.053 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 39.0 mt -115.83 137.33 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.087 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.63 16.98 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 51.34 111.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.69 -19.26 49.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.634 -0.793 . . . . 54.33 112.917 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.47 154.51 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 72.45 111.05 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -90.02 130.31 36.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 73.32 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 m -150.48 147.03 27.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 60.43 111.053 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -80.3 159.12 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 62.24 110.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -127.27 91.19 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -79.8 100.92 8.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.805 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.75 ' CD1' HD12 ' A' ' 6' ' ' LEU . 11.5 mm -85.26 108.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 70.12 111.213 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' A' ' 71' ' ' TYR . 20.5 tp -90.26 123.51 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 65.12 110.664 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -113.46 86.34 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.058 -0.519 . . . . 73.22 110.895 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 71' ' ' TYR . 26.2 p -75.48 179.45 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.0 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.14 116.85 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 42.01 111.163 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.66 74.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 63.21 112.363 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.31 2.43 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.649 0.261 . . . . 53.31 111.317 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.46 35.14 12.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 73.43 111.082 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.93 -33.17 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.894 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 1.4 m-85 -105.62 85.44 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 60.14 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 p -74.97 -45.48 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 71.04 110.978 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.04 -39.28 74.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 65.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 64' ' ' TYR . 3.5 mtm -81.76 -23.25 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.98 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -53.02 -47.08 68.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 75.4 111.059 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -40.52 85.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.786 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.874 ' O ' HG23 ' A' ' 74' ' ' THR . 4.8 tp60 -58.55 -42.32 87.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.819 ' CD1' HD21 ' A' ' 56' ' ' LEU . 19.4 m-85 -59.39 -36.11 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 75.51 110.777 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.872 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.9 mtt -67.81 -41.99 82.26 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.594 -0.521 . . . . 63.33 109.594 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HG2' HG13 ' A' ' 103' ' ' VAL . 50.1 mtm180 -73.88 -11.84 60.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 61.34 111.007 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 70' ' ' GLN . 67.1 p -99.49 -30.5 12.13 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.958 0.409 . . . . 73.52 110.717 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -87.32 155.97 27.73 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.868 -0.682 . . . . 62.42 113.998 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.92 1.32 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.401 -0.4 . . . . 72.12 110.614 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.3 140.73 5.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.132 -0.556 . . . . 45.51 111.947 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 100' ' ' ILE . 9.7 m-85 -112.89 153.82 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 73.33 111.427 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.56 112.96 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.629 . . . . 74.53 110.817 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.731 ' HB3' HD12 ' A' ' 93' ' ' ILE . 34.5 m -91.38 103.1 15.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 52.1 110.81 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.2 p -112.16 130.99 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 71.12 111.146 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.7 p90 -142.27 162.41 35.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 63.42 110.811 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.27 123.7 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 53.53 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.5 pt -60.56 -24.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 72.22 111.086 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.58 -30.7 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 43.21 110.809 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -107.96 112.62 25.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.401 ' HA ' HG21 ' A' ' 125' ' ' VAL . 37.3 m -70.09 -27.18 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.94 -30.06 70.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.606 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.462 ' HB3' HG11 ' A' ' 14' ' ' VAL . 14.2 m -71.79 -40.25 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.567 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.71 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.19 -29.32 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.34 110.932 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -75.97 -31.59 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 54.43 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.4 mm -60.65 -30.48 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 73.03 110.945 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.73 -55.38 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.906 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -65.55 -28.46 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 70.24 111.174 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 100' ' ' ILE . 2.8 m-85 -58.87 -36.08 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 73.31 111.029 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 1.9 ttt180 -65.11 -35.29 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.761 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.88 -29.97 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -51.53 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 51.01 110.888 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 96' ' ' TYR . 2.8 mp -61.35 -41.61 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.35 -34.31 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.93 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -71.81 -57.79 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.604 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.872 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.5 t -56.55 -53.9 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 72.12 110.995 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -63.74 -24.16 67.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 71.21 110.918 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 t0 63.97 40.92 6.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 63.31 110.755 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 144.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 44.45 110.878 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.93 -39.84 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 71.13 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -77.79 94.52 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 104' ' ' LYS . 34.1 m -136.42 154.74 77.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.175 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 101.05 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 73.34 112.338 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.6 mtm -134.31 169.36 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.73 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 159' ' ' LEU . 12.6 t -144.99 155.79 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 73.22 111.179 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.1 tp -130.77 108.6 9.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.25 111.0 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.862 HG21 ' HB1' ' A' ' 155' ' ' ALA . 37.1 t -111.34 141.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.11 111.149 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.1 84.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.801 -0.714 . . . . 64.54 112.435 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.81 165.17 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.44 110.986 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 60.77 74.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 t -107.34 -22.79 12.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 32.35 111.138 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.5 -29.79 52.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 63.45 111.154 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.22 152.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 73.05 111.183 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.71 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.304 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.04 66.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.676 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -86.12 109.15 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.782 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -80.84 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.574 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 87' ' ' THR . 39.5 t -77.18 109.28 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 75.34 110.902 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.43 157.89 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.34 111.052 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.7 p -66.5 -38.67 87.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 64.22 111.014 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -56.37 -43.42 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.02 -37.84 84.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.09 -36.53 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.3 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.2 -41.55 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 71.22 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.612 HD11 ' CE1' ' A' ' 137' ' ' TYR . 17.9 tp -73.33 -51.41 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.41 -44.95 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.167 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -41.63 87.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.845 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -73.23 -38.0 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.685 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.612 ' CE1' HD11 ' A' ' 133' ' ' LEU . 2.7 m-30 -63.04 -25.34 68.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 73.42 111.009 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.78 12.96 60.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 70.42 112.672 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.64 154.91 44.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.307 . . . . 64.13 111.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.48 158.71 53.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.575 2.183 . . . . 74.52 112.333 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -122.23 116.37 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 1.151 HD11 HG21 ' A' ' 158' ' ' THR . 2.6 mp -118.24 153.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.13 110.955 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -119.9 120.56 36.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.41 -0.359 . . . . 71.34 110.96 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 67.0 p -132.23 170.17 15.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.2 p -141.3 112.24 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 75.5 110.804 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -63.79 -25.21 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.41 111.544 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.17 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 72.43 111.338 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -70.16 -21.58 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 54.14 111.312 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.64 72.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 74.15 110.662 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 144' ' ' THR . 2.7 tt0 -126.85 122.08 33.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 53.12 110.857 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.71 17.01 48.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 75.35 112.908 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 149' ' ' ARG . 24.2 t -52.23 -55.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.832 0.348 . . . . 72.24 111.044 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.0 OUTLIER -62.9 -27.57 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.749 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -49.39 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.949 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.862 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.68 -45.86 88.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 72.42 111.28 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.45 -51.91 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 53.12 111.135 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 20.9 m-85 -54.74 -32.37 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 74.22 111.035 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . 1.151 HG21 HD11 ' A' ' 142' ' ' ILE . 3.3 m -57.84 -43.65 86.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 64.34 110.897 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.509 HD13 HG23 ' A' ' 112' ' ' VAL . 32.2 tp -59.0 -42.46 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.666 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.7 t -51.7 -56.55 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.021 -0.536 . . . . 53.45 111.259 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -34.96 71.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.191 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.73 -49.47 62.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 74.12 111.081 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.415 HD11 ' HG ' ' A' ' 159' ' ' LEU . 78.2 mt -55.86 -35.35 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.385 -0.37 . . . . 52.11 111.169 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -30.61 69.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.691 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.27 27.53 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.31 111.064 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.275 -0.869 . . . . 75.44 110.972 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.465 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.39 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.838 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.784 0.326 . . . . 71.12 111.251 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.2 149.77 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.821 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.02 115.32 30.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.1 120.53 42.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 74.15 111.072 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' CB ' ' HA2' ' A' ' 75' ' ' GLY . 2.8 mmtm -101.83 96.44 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.824 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.5 mt -87.82 116.14 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 70.2 111.126 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 71' ' ' TYR . 43.7 t -94.89 106.41 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.034 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 56' ' ' LEU . 7.6 p -79.33 147.68 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 72.34 111.307 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -154.91 148.33 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 62.31 111.073 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . 139.98 74.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.654 -0.784 . . . . 72.14 112.796 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . 55.9 -163.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.693 0.282 . . . . 74.22 111.197 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 0.03 6.63 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.757 -0.735 . . . . 74.35 113.136 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -10.72 10.22 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.691 -0.766 . . . . 70.2 112.71 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 11' ' ' ALA . 26.1 m -56.56 -31.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 73.51 111.234 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.9 24.06 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 62.33 112.373 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 8' ' ' VAL . 3.7 pttm -59.04 -32.59 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 61.12 110.859 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -34.46 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.846 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.09 -58.13 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD21 HG11 ' A' ' 81' ' ' VAL . 3.2 pp -56.52 -26.38 54.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.934 HG23 HG21 ' A' ' 55' ' ' ILE . 93.7 m -69.68 -58.35 4.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 72.13 110.788 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' OH ' ' A' ' 40' ' ' TYR . 49.6 mm -57.52 -33.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.007 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -58.93 -44.98 91.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 71.01 110.756 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.58 -5.74 48.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 74.5 111.41 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.62 -70.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 72.52 111.042 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -97.26 -21.6 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 74.42 111.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 72.62 74.94 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CE1' HG21 ' A' ' 21' ' ' ILE . 12.7 p80 -176.44 158.19 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.927 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.5 OUTLIER -75.28 108.49 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.678 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.23 150.43 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 54.14 111.275 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -160.96 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.95 91.22 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 61.32 110.816 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' OH ' ' N3B' ' A' ' 201' ' ' GNP . 38.5 p90 -146.15 172.85 12.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.89 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.555 ' HB2' HG21 ' A' ' 36' ' ' ILE . 55.1 m-20 -98.42 148.53 34.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.23 110.849 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.35 116.01 4.43 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.551 2.168 . . . . 71.35 112.418 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 55.34 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.981 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 33' ' ' ASP . 2.7 pp -147.87 -178.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 63.15 111.181 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.28 -89.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.658 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.516 ' OD2' HD13 ' A' ' 36' ' ' ILE . 13.8 m-20 46.68 41.05 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 61.31 111.34 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -53.78 161.99 1.0 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.037 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.655 ' OH ' HD11 ' A' ' 21' ' ' ILE . 6.8 m-85 -118.45 163.89 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.34 111.068 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -145.73 108.5 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.926 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -117.45 145.93 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.1 140.78 30.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.082 -0.508 . . . . 62.14 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 53' ' ' LEU . 31.2 m -150.93 158.75 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.066 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.65 100.87 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.058 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -123.21 134.44 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.996 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.5 32.86 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.86 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.46 26.81 62.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 74.13 112.574 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -143.16 110.56 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 72.23 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 127.72 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.869 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 2' ' ' THR . 63.8 m -147.77 143.21 27.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.42 111.028 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.838 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.44 147.02 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.606 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 44' ' ' VAL . 34.0 mt -117.22 103.03 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 72.24 111.006 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -96.12 99.86 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.81 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.934 HG21 HG23 ' A' ' 20' ' ' THR . 10.3 mm -86.07 108.53 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 72.24 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.737 ' O ' HG12 ' A' ' 8' ' ' VAL . 2.1 tt -85.24 127.28 34.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 43.34 110.981 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 56' ' ' LEU . 30.6 t0 -109.59 88.22 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.718 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.571 ' CG2' HD22 ' A' ' 56' ' ' LEU . 12.9 p -80.55 -176.3 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.013 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 162.49 13.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 60.41 111.185 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.73 56.64 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 73.35 112.599 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 43.17 81.68 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.851 0.357 . . . . 73.0 111.601 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -118.38 -47.47 2.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.807 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER 178.88 85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.698 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CG ' ' HG3' ' A' ' 67' ' ' MET . 0.5 OUTLIER 178.29 45.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.944 -0.571 . . . . 75.43 110.693 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -28.86 46.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 52.03 111.015 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' O ' ' NE2' ' A' ' 70' ' ' GLN . . . -69.41 -31.48 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 70.54 110.987 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.572 ' CE ' ' N6 ' ' A' ' 203' ' ' KOB . 3.1 mmt -83.45 -29.37 28.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.605 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -55.14 23.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.394 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -48.92 -34.94 13.81 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.199 0.524 . . . . 73.02 110.296 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.859 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -60.63 -62.43 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.431 -0.804 . . . . 73.32 111.606 179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.9 m-85 -49.1 -27.72 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.12 -0.945 . . . . 74.44 111.092 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.842 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -73.98 -42.55 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.122 0.487 . . . . 72.21 109.707 178.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 5.9 mtp-105 -81.65 -18.7 43.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.628 -0.714 . . . . 64.34 111.591 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 43.7 p -97.68 -16.12 20.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.736 0.303 . . . . 75.11 111.052 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 5' ' ' LYS . . . -95.8 162.32 23.12 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.627 -0.797 . . . . 42.31 113.167 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -104.74 -15.2 15.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 75.45 111.046 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.61 -173.28 21.24 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.871 -0.681 . . . . 61.31 112.273 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 100' ' ' ILE . 82.4 m-85 -151.76 129.36 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.21 111.043 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.877 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -114.86 120.53 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 62.31 110.842 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.2 m -94.65 109.71 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 HD21 ' A' ' 19' ' ' LEU . 39.4 t -105.01 113.14 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.165 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.638 ' CD1' HD11 ' A' ' 113' ' ' LEU . 15.2 p90 -125.4 139.99 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.771 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.16 123.73 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 64.2 111.085 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.4 pt -58.74 -26.5 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 72.43 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 17.6 t-20 -76.89 -30.28 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.897 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.1 109.9 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.605 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -70.42 -20.68 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.21 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.1 -46.55 80.63 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.822 0.344 . . . . 65.4 110.652 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.94 -31.01 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 74.35 110.727 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.55 -53.01 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 64.11 110.87 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.39 -28.81 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 65.22 111.1 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -67.74 -31.51 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 71.41 110.962 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.5 mm -61.46 -28.36 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 74.41 110.913 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -74.13 -55.34 6.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.822 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -28.62 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 44.01 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.0 m-85 -64.98 -47.01 79.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 65.32 110.831 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -37.14 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.945 -0.57 . . . . 74.45 110.95 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.06 -36.16 83.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 71.03 110.984 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -32.98 73.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 72.34 111.003 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.445 HG23 ' CE1' ' A' ' 78' ' ' PHE . 34.2 mt -74.03 -44.44 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.117 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -41.55 65.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 75.44 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -58.85 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.842 HG11 ' HB2' ' A' ' 72' ' ' MET . 60.1 t -56.65 -64.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.074 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.12 -25.33 63.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.729 . . . . 71.24 110.935 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t0 61.59 45.77 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 62.34 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 t -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 71.11 110.838 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -81.49 -33.46 31.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.25 110.956 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.48 85.41 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.004 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.14 153.63 53.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 52.11 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.23 109.05 2.63 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.563 2.175 . . . . 74.32 112.489 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.645 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.5 ptp -156.37 168.52 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.2 110.885 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 140' ' ' PRO . 22.2 t -145.57 153.82 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.21 111.327 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.638 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.2 tp -115.75 116.57 28.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.4 t -113.21 146.28 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 65.44 111.24 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.28 85.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.861 -0.685 . . . . 75.55 112.381 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.521 HD21 ' HA ' ' A' ' 116' ' ' ASN . 0.1 OUTLIER -62.29 175.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 60.51 111.037 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.503 ' O ' HD11 ' A' ' 84' ' ' ILE . 2.7 tttt 60.48 47.93 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.03 111.042 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.4 t -105.94 19.71 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 53.04 111.267 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.97 -15.11 11.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.535 -0.302 . . . . 63.43 111.752 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.429 HD13 ' CE ' ' A' ' 117' ' ' LYS . 0.7 OUTLIER -89.02 170.57 10.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 70.42 111.101 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.77 50.67 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 55.51 111.162 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -148.12 72.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.012 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.71 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -102.12 106.89 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.785 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -83.58 -48.57 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.615 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 87' ' ' THR . 61.0 t -94.15 95.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 72.2 110.778 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.94 157.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.178 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.11 -39.5 86.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 51.44 111.028 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -53.01 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.12 -45.11 71.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 71.2 111.091 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.92 -33.27 68.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 61.04 111.158 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -42.78 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.925 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.67 -35.77 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.946 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.28 -51.37 17.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.06 -46.56 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.092 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -28.7 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.34 111.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -73.31 -37.54 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 44.5 110.755 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -76.28 -22.16 55.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 75.1 111.021 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.59 61.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 44.14 112.508 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.645 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -110.92 156.86 40.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 74.33 111.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.638 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.4 Cg_endo -71.35 153.93 61.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.541 2.161 . . . . 74.23 112.41 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -123.63 104.29 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.704 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.91 HD11 HG21 ' A' ' 158' ' ' THR . 4.1 mp -104.33 150.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.51 129.92 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 60.41 110.736 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -143.89 -177.37 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.25 111.047 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.601 ' HB3' HG22 ' A' ' 148' ' ' THR . 1.5 t -144.78 124.8 13.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 62.02 110.738 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -76.82 -14.49 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 54.44 111.514 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.31 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 64.31 111.373 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 145' ' ' SER . 1.2 t -111.87 -24.64 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 73.42 111.288 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HA ' HG21 ' A' ' 152' ' ' VAL . 1.4 tmm_? 72.22 45.62 0.37 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 71.34 110.673 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.18 117.2 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.02 111.232 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.25 11.22 58.69 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.999 -0.62 . . . . 70.14 113.338 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 149' ' ' ARG . 90.1 t -58.57 -36.53 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.924 0.362 . . . . 73.4 111.216 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.4 mt-10 -72.77 -32.83 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.03 110.915 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -52.63 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.1 -52.36 44.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.414 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.689 ' CD2' HD13 ' A' ' 23' ' ' LEU . 26.0 m-85 -59.24 -51.25 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 72.12 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.6 m-85 -55.25 -32.0 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.967 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.91 HG21 HD11 ' A' ' 142' ' ' ILE . 4.5 m -58.71 -44.37 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 64.25 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.877 HD22 HD12 ' A' ' 79' ' ' LEU . 35.3 tp -60.68 -41.32 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.058 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' ILE . 60.8 t -54.69 -43.68 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 71.21 111.086 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -70.55 -27.08 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.7 -48.04 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.11 111.125 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.411 HD11 ' HG ' ' A' ' 159' ' ' LEU . 61.7 mt -63.01 -38.87 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.357 -0.383 . . . . 72.41 111.202 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.9 41.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.3 -29.49 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 53.31 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.263 -0.875 . . . . 75.02 110.857 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.923 " H3'" ' O2A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.415 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.674 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.988 0.423 . . . . 51.2 111.346 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 146.66 37.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.804 -0.635 . . . . 72.45 110.842 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.12 118.92 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.736 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.34 117.35 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.162 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -84.48 106.92 16.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 74.41 110.747 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.1 mm? -96.62 95.29 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 74.02 110.869 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.54 108.24 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 70.53 111.112 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.35 140.12 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.92 -177.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 70.43 111.062 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 129.84 157.61 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 33.31 112.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -55.83 151.15 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 44.4 111.022 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.75 -24.55 13.17 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.807 -0.711 . . . . 43.21 112.733 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.04 65.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.652 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.8 m -140.8 16.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.621 0.248 . . . . 73.23 111.462 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . 54.36 25.71 34.62 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.726 -0.749 . . . . 62.45 112.675 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -44.86 91.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 72.35 110.838 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -69.22 -25.26 64.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 54.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.32 -50.76 70.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 72.2 111.326 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.13 -34.58 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.639 HG21 ' HB2' ' A' ' 57' ' ' ASP . 4.8 m -57.64 -56.3 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.188 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.79 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.291 -0.413 . . . . 54.42 110.783 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.45 -50.81 57.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 65.13 110.857 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 23' ' ' LEU . 2.3 tm? -65.24 -52.07 56.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 64.52 110.822 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.19 -56.43 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -105.8 -129.4 0.27 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.163 -0.471 . . . . 64.15 110.152 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.45 39.86 0.0 OUTLIER 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.081 -0.387 . . . . 62.44 110.846 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 12.2 p80 -126.24 -8.63 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 72.53 111.681 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 17.4 t80 75.47 140.61 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.753 0.311 . . . . 63.42 110.668 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.2 153.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 70.12 111.303 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -179.37 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.813 -0.631 . . . . 51.43 110.724 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -153.88 123.6 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 73.15 110.807 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -144.96 152.16 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.757 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.1 126.35 85.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.51 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.87 -19.74 15.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.502 2.135 . . . . 72.44 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.2 m -58.83 -29.54 66.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 74.12 111.078 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.557 HD12 ' H ' ' A' ' 38' ' ' ASP . 1.2 pt -103.06 179.29 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.459 . . . . 71.03 111.429 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -92.79 14.14 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 73.3 111.608 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' H ' HD12 ' A' ' 36' ' ' ILE . 59.9 m-20 56.87 25.0 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 61.54 111.442 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -93.98 149.47 21.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.397 . . . . 63.35 110.993 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -145.04 174.4 11.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.736 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -146.3 132.07 19.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.15 110.836 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.898 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.624 ' HG3' HD22 ' A' ' 52' ' ' LEU . 31.7 tt0 -104.24 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 62.35 110.727 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.17 177.69 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.264 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.76 101.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.33 111.001 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.605 ' CD1' HG11 ' A' ' 160' ' ' VAL . 31.3 mt -115.33 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 60.69 34.04 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.852 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.03 28.24 68.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.508 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.97 114.29 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 55.33 110.938 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -62.31 122.47 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.9 m -145.25 150.8 37.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.842 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.674 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -83.81 147.83 27.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 46' ' ' ILE . 62.4 mt -124.0 95.55 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.758 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 96.63 9.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.921 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.663 HD13 ' HB2' ' A' ' 6' ' ' LEU . 11.7 mm -89.68 108.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 74.4 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -93.51 130.59 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.508 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.639 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.3 t70 -115.32 105.41 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 61.14 110.901 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 p -75.49 -174.44 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.762 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.9 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -132.19 162.76 30.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 70.45 111.176 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.52 9.56 73.87 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.331 -0.938 . . . . 55.34 112.78 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' O ' ' CE1' ' A' ' 64' ' ' TYR . 10.4 pt20 -144.14 -49.83 0.29 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.777 0.322 . . . . 71.32 110.972 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.9 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 2.1 tt0 -109.4 149.93 28.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 71.11 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 49.78 75.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.135 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -177.54 -167.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.047 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.68 -89.65 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.928 -0.578 . . . . 41.24 111.477 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -54.77 -45.43 74.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 72.1 110.93 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 1.12 ' HE2' ' H4 ' ' A' ' 203' ' ' KOB . 63.6 mtp -83.54 -21.99 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 62.31 110.893 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -50.82 -37.86 45.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.829 0.347 . . . . 72.23 110.499 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -33.81 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 71.25 110.296 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 74' ' ' THR . 4.1 tp60 -69.82 -41.29 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 75.23 110.36 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' HD11 ' A' ' 56' ' ' LEU . 14.1 m-85 -58.57 -39.1 79.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.2 mtt -63.5 -37.03 85.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 61.03 110.335 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -81.17 -10.15 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.754 -0.657 . . . . 71.22 111.052 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 70' ' ' GLN . 42.7 p -102.07 -20.62 14.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.433 -0.349 . . . . 54.33 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -103.7 169.18 17.89 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.607 -0.806 . . . . 35.02 113.025 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.04 -15.18 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.7 0.286 . . . . 71.5 111.1 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.69 -176.86 19.06 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.768 -0.729 . . . . 54.34 112.356 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 100' ' ' ILE . 57.4 m-85 -154.65 140.7 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 73.13 110.993 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD22 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -119.61 127.27 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.865 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 21.8 m -97.71 113.71 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.43 110.91 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.09 117.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.89 153.79 45.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.522 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.72 123.62 41.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 62.51 111.086 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -60.35 -21.83 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.14 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.449 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.7 OUTLIER -83.3 -31.36 26.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 71.35 110.792 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.97 111.79 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.956 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -72.45 -28.5 62.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.858 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -61.64 -40.09 93.65 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.596 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.6 m -61.38 -31.35 71.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.776 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 125' ' ' VAL . 9.6 t80 -60.47 -52.87 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.828 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.17 -28.07 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 71.11 110.929 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 13.9 m-20 -71.69 -32.35 67.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 75.11 110.834 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -60.65 -30.93 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.14 110.76 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.24 -55.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.936 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -66.45 -30.12 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.32 111.064 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -59.4 -44.71 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 72.24 110.874 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.15 -33.58 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.54 -32.71 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.952 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -39.93 81.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 111' ' ' MET . 53.7 mt -65.85 -46.66 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.023 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -32.98 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 64.12 110.978 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -58.63 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.822 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 72' ' ' MET . 36.8 t -63.78 -53.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.019 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.964 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.3 t70 63.84 44.93 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 43.41 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -164.31 151.9 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.52 -37.11 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.03 89.79 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 44.24 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.35 153.31 50.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.04 109.25 2.51 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.583 2.189 . . . . 60.3 112.342 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.782 ' HG3' HG21 ' A' ' 139' ' ' ILE . 7.5 ptp -158.5 169.08 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.947 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.3 t -145.23 149.96 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.165 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 80' ' ' CYS . 7.9 tp -109.08 108.95 19.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.54 110.778 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -100.12 143.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.249 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.77 85.42 0.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.828 -0.701 . . . . 52.52 112.374 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.518 HD21 ' HB2' ' A' ' 146' ' ' ALA . 14.3 t-20 -61.61 168.62 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 62.2 111.017 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER 60.98 61.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 64.34 111.005 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.2 t -101.85 3.62 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 62.31 111.365 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -110.59 -18.6 13.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.663 0.268 . . . . 71.35 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 120' ' ' LEU . 7.6 mt -50.71 175.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 73.04 111.096 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.47 23.65 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 62.54 111.402 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.84 60.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 64.25 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -84.26 144.11 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 53.31 110.989 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -111.35 -47.19 3.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.54 110.78 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 90' ' ' PHE . 44.0 t -94.54 106.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.31 163.41 15.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 64.5 110.921 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 m -59.35 -30.3 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.056 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -56.46 -48.7 76.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -59.41 -42.95 92.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 73.01 111.069 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.51 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 64.55 111.255 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -36.92 82.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 70.43 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.0 tp -74.37 -51.47 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.98 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.18 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.31 111.23 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.985 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -72.84 -39.15 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.627 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.404 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.3 m-85 -70.65 -23.32 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 74.54 110.943 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.75 16.54 63.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 62.54 112.566 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.782 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.8 pt -110.79 156.8 40.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 65.23 111.476 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.458 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.9 Cg_endo -71.54 156.35 58.07 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.609 2.206 . . . . 61.05 112.274 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -127.78 118.29 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.936 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -119.9 150.94 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.022 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -118.04 128.86 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.42 110.625 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.1 p -138.31 174.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 65.03 111.227 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 124.75 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.43 110.776 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -77.06 -8.67 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 61.3 111.491 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -97.36 -54.7 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 62.34 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -85.92 -21.58 27.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 72.12 111.284 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.79 66.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.401 . . . . 72.33 110.659 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.65 103.38 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.24 111.074 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 144' ' ' THR . . . 78.13 16.49 79.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.797 -0.716 . . . . 73.2 112.974 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.15 -54.17 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 120.827 0.346 . . . . 61.23 111.129 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 3.7 mt-10 -62.65 -30.15 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.07 -54.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.957 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -50.12 -39.8 44.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 72.21 111.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -72.75 -46.73 51.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.71 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 m-85 -57.7 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 61.23 111.045 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 142' ' ' ILE . 85.9 m -59.68 -44.02 93.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.992 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 6' ' ' LEU . 21.4 tp -66.44 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 65.01 111.125 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 46' ' ' ILE . 44.8 t -56.59 -39.7 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 60.12 111.101 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -72.17 -29.1 63.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.3 110.804 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.53 -50.81 23.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 63.02 110.967 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.54 -37.22 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.168 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.794 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -78.15 -29.26 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.849 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.252 -0.88 . . . . 72.21 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.448 ' N7 ' ' HE3' ' A' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.328 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.593 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.955 0.407 . . . . 74.22 111.299 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.94 143.02 57.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 74.43 110.784 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.49 123.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 73.25 110.677 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -110.33 139.21 45.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 72.2 111.075 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 99.26 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 72.23 110.688 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -93.12 97.87 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.777 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 HD12 ' A' ' 56' ' ' LEU . 43.6 t -80.18 137.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 74.12 111.038 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.22 146.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 64.34 111.417 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.9 m -125.66 164.93 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 50.31 110.708 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.73 162.28 30.3 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.496 -0.859 . . . . 60.03 112.733 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.21 22.23 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 64.12 111.197 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' HA2' ' O3G' ' A' ' 201' ' ' GNP . . . 72.98 28.34 66.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 73.41 112.754 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.7 40.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.556 -0.831 . . . . 75.1 112.81 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 89' ' ' SER . 27.2 m -119.72 -7.06 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.825 0.306 . . . . 73.12 111.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' HA2' ' O2A' ' A' ' 201' ' ' GNP . . . 69.18 40.48 82.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 74.02 112.549 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -31.07 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 71.52 110.889 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -69.17 -31.32 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 53.11 110.711 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.44 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.146 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 HG13 ' A' ' 152' ' ' VAL . 0.2 OUTLIER -51.38 -41.47 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.118 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.697 HG23 HG21 ' A' ' 55' ' ' ILE . 86.2 m -66.92 -54.06 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 44.31 111.071 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 29' ' ' VAL . 84.2 mt -59.37 -27.45 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.237 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.2 -42.79 91.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 72.22 110.77 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 tp -73.65 -21.41 60.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 74.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 mm -84.53 -70.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 111.931 0.345 . . . . 61.14 111.931 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -105.7 -17.05 14.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.579 -0.282 . . . . 75.3 111.597 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 68.25 35.5 3.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 71.02 110.882 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 4.1 p-80 -126.23 144.55 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.723 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.04 144.41 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 63.42 111.242 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG21 HD13 ' A' ' 21' ' ' ILE . 20.5 t -150.15 135.66 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 64.53 110.709 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.37 -56.33 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.801 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 171.05 71.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 55.45 110.768 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.31 142.87 47.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.925 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.02 116.12 6.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.1 110.809 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.15 -25.91 8.17 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.505 2.137 . . . . 55.12 112.263 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -176.06 39.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 55.13 110.769 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -137.19 162.04 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 62.44 111.195 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -100.37 35.86 2.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 73.04 111.081 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.612 ' H ' HD12 ' A' ' 36' ' ' ILE . 8.1 t0 62.77 22.1 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.252 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -113.4 147.97 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 73.51 110.782 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -148.01 164.17 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 71.15 110.922 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -147.6 159.49 43.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.1 110.892 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -158.16 147.1 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.86 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -102.21 123.67 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.856 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 m -134.89 -178.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 73.53 111.126 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.9 t -121.11 100.8 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.078 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.734 ' CD1' HG21 ' A' ' 160' ' ' VAL . 54.6 mt -116.39 136.85 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 62.21 111.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.85 33.09 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 70.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.6 28.46 67.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 54.12 112.45 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -141.89 113.97 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 51.22 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.9 m -62.35 120.42 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 54.43 110.837 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.2 m -143.93 147.34 33.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.791 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.45 146.88 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.923 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 60.7 mt -125.41 93.83 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.04 110.834 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 98.84 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.784 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.697 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -77.04 110.77 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.04 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.1 tm? -89.45 111.95 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.093 -0.503 . . . . 73.4 111.021 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.78 106.31 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.858 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -76.14 -173.76 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 156.77 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 60.43 111.052 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.54 -78.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 71.42 112.531 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.94 114.09 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 43.43 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.11 150.93 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.13 110.783 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.77 111.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.34 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 0.8 OUTLIER -176.81 37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.897 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 p -59.1 -31.58 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.39 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.88 67.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 70.41 110.544 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.475 ' SD ' ' N6 ' ' A' ' 203' ' ' KOB . 3.1 mmt -84.05 -45.99 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.739 -0.664 . . . . 43.31 110.385 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 71.12 110.687 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.04 -29.39 70.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 74.13 110.481 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' THR . 6.8 tp60 -74.61 -49.48 21.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 72.13 110.709 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.945 ' CE1' ' HD1' ' A' ' 203' ' ' KOB . 97.6 m-85 -50.94 -35.09 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.905 0.383 . . . . 74.21 110.791 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.42 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.8 mtt -73.85 -43.38 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 71.33 110.466 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -75.5 -16.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.965 -0.561 . . . . 75.22 111.038 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 70' ' ' GLN . 79.3 p -101.31 -8.74 21.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.882 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.86 166.0 14.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.767 . . . . 61.14 112.661 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.8 -12.46 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.654 0.264 . . . . 72.35 111.146 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.6 -178.68 26.59 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.774 -0.727 . . . . 72.34 112.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 100' ' ' ILE . 64.4 m-85 -153.1 142.83 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 75.0 111.231 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.01 129.73 55.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.733 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 76.6 m -103.57 112.62 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 51.14 110.897 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.18 106.3 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.54 111.032 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.7 151.63 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.484 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.77 42.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.325 -0.398 . . . . 71.13 111.162 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.6 pt -67.81 -13.48 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.44 111.215 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -28.6 14.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.414 -0.357 . . . . 44.41 110.54 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.81 107.29 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 63.4 110.83 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -64.43 -25.62 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.34 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -65.49 -45.26 84.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 63.41 111.094 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' HG12 ' A' ' 14' ' ' VAL . 77.8 p -57.03 -44.73 83.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 53.22 111.02 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 19.7 t80 -59.48 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.878 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.85 -30.96 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.407 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 23.6 m-20 -72.23 -31.34 65.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 65.42 110.83 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -60.51 -28.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 72.53 110.687 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -72.27 -55.36 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.806 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.31 -29.02 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.069 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.23 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.394 . . . . 74.5 110.96 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -33.63 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 75.51 110.717 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.21 -29.77 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 72.53 111.015 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -43.56 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.787 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 109' ' ' VAL . 71.0 mt -64.13 -51.7 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.954 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.72 -37.4 63.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 63.51 111.287 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -64.1 -56.24 16.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 74.22 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 72' ' ' MET . 42.6 t -62.92 -52.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 62.24 110.975 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -65.22 -26.1 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.74 44.13 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 61.5 110.81 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -169.2 141.32 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 75.21 110.809 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.27 -28.02 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.031 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.28 84.58 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 74.13 111.217 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.479 ' CG2' ' HE3' ' A' ' 111' ' ' MET . 18.5 m -112.09 151.65 43.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.921 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.3 Cg_endo -71.26 101.1 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.45 2.1 . . . . 64.44 112.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.506 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.5 ptp -150.58 169.01 22.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 74.51 111.076 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.0 t -142.13 149.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.062 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.2 tp -111.14 115.33 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.866 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 155' ' ' ALA . 8.4 t -104.4 160.55 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 51.21 111.195 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -127.52 80.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.803 -0.713 . . . . 73.02 112.498 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.17 171.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 71.41 111.002 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.603 ' HE2' HD11 ' A' ' 120' ' ' LEU . 1.3 mtpt 62.48 62.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 72.0 111.013 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.87 -22.52 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.264 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.66 -70.99 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.859 0.361 . . . . 54.43 111.168 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.681 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -48.19 172.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 73.04 111.354 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.34 47.21 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.47 71.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.2 111.059 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.686 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.4 ptp85 -99.98 145.94 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.943 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.6 p -108.08 -48.79 3.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.639 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.56 104.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 74.12 110.913 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.85 161.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 71.32 111.067 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.39 -37.18 86.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.908 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -56.85 -49.01 76.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.898 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.02 -44.1 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 63.23 110.923 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -66.07 -36.3 82.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 53.53 111.081 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -30.94 59.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.44 110.774 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -59.55 -34.92 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 52.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.427 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.3 tp -81.17 -51.38 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.27 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.16 -31.78 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.826 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -73.0 -37.97 66.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.612 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 16.8 m-85 -70.86 -24.78 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.971 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.86 62.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 42.23 112.48 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.0 pt -111.7 157.23 40.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 73.45 111.335 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.78 155.64 65.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.578 2.185 . . . . 75.43 112.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -127.09 124.43 39.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.975 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.1 OUTLIER -127.15 164.36 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.986 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -132.2 138.9 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.716 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.6 p -146.12 -178.51 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 71.34 111.201 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -146.36 122.15 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 63.41 110.791 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.37 -8.37 56.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 75.34 111.595 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.419 ' HB2' ' C6 ' ' A' ' 201' ' ' GNP . 8.8 tptm -92.16 -48.06 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.83 0.348 . . . . 74.43 110.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 p -95.28 -17.42 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 54.35 111.19 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 9.0 ttp180 64.23 60.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 72.21 110.779 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -110.86 123.09 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.851 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.72 18.25 45.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 74.32 112.834 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.739 HG13 HD23 ' A' ' 19' ' ' LEU . 92.0 t -57.07 -53.58 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 CA-C-O 120.857 0.361 . . . . 73.3 111.14 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 26.7 mt-10 -63.01 -27.35 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.847 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -55.97 -48.02 76.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 65.42 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.897 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.92 -40.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 54.41 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -72.85 -50.16 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 72.14 111.074 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.1 m-85 -56.11 -39.84 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.929 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.493 HG21 HD11 ' A' ' 142' ' ' ILE . 45.3 m -61.08 -35.28 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.581 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.789 HD22 HD12 ' A' ' 79' ' ' LEU . 33.4 tp -66.81 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 73.44 110.602 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.734 HG21 ' CD1' ' A' ' 46' ' ' ILE . 41.3 t -61.41 -52.6 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.004 -0.544 . . . . 34.43 111.039 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -28.36 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -73.12 -55.46 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.15 111.011 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 110' ' ' PRO . 75.4 mt -60.25 -38.16 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.365 -0.38 . . . . 53.32 111.354 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -52.59 -45.16 66.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 52.34 111.025 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -59.75 -44.76 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.222 -0.894 . . . . 63.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.451 ' O3G' ' O1B' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.4 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.793 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.801 0.334 . . . . 64.42 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.09 149.77 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 61.4 110.692 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.66 117.89 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.863 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' HG13 ' A' ' 160' ' ' VAL . 8.5 m-85 -110.41 105.46 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.91 99.18 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.42 110.65 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 6' ' ' LEU . 3.5 mm? -89.98 101.6 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 54.05 111.146 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.6 t -88.11 109.06 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.73 139.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 62.23 111.051 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -137.26 148.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.041 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.76 174.16 37.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 62.53 112.709 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.649 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -90.04 156.96 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.862 0.363 . . . . 72.32 111.164 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.0 106.1 1.02 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 41.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.58 -20.21 7.39 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.768 -0.73 . . . . 70.02 112.625 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 11' ' ' ALA . 27.8 m -54.14 -25.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 71.42 111.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.69 25.98 28.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 74.11 112.465 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HA ' HG11 ' A' ' 81' ' ' VAL . 9.5 pttt -62.04 -34.98 77.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 71.02 110.89 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -72.59 -32.7 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.19 -55.41 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 70.35 111.125 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.583 HD22 HG13 ' A' ' 152' ' ' VAL . 25.8 mt -57.17 -29.97 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.048 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.786 HG13 HG22 ' A' ' 29' ' ' VAL . 37.9 mm -53.53 -30.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 72.12 111.282 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.698 ' CB ' HG11 ' A' ' 152' ' ' VAL . 60.9 mm-40 -60.79 -49.35 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.913 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 153' ' ' GLU . 5.7 tt -76.62 -9.0 58.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.462 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.413 HG22 ' HG3' ' A' ' 25' ' ' GLN . 24.4 mm -97.34 -72.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.726 0.298 . . . . 54.52 111.255 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' HG22 ' A' ' 24' ' ' ILE . 4.6 mt-30 -104.07 -10.72 17.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 65.01 111.514 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.39 69.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.882 0.372 . . . . 71.44 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.514 ' CE1' HG21 ' A' ' 21' ' ' ILE . 11.8 p80 -177.06 151.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 73.13 110.704 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' HZ ' HO2' ' A' ' 201' ' ' GNP . 2.9 t80 -59.97 141.1 56.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 74.11 110.74 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.786 HG22 HG13 ' A' ' 21' ' ' ILE . 12.9 t -55.25 108.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.019 0.438 . . . . 71.11 111.201 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.18 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.756 -0.656 . . . . 71.13 111.242 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.32 89.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.925 -0.58 . . . . 73.31 110.796 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -136.81 168.66 19.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.915 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -86.18 111.27 37.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 75.1 110.922 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.63 -12.87 20.28 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.55 2.167 . . . . 65.21 112.568 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -55.82 -61.74 2.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.978 0.418 . . . . 60.5 111.101 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -179.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 74.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.01 173.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 65.43 110.995 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -91.86 47.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 61.31 111.055 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -99.56 152.49 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 54.44 110.705 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 5.5 m-85 -147.69 160.74 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 63.33 110.945 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -141.1 154.73 46.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.72 148.42 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.2 110.956 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -103.55 118.72 37.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.783 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 33.7 m -130.58 -178.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 61.3 111.162 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.96 102.54 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.858 ' CD1' HG21 ' A' ' 160' ' ' VAL . 34.2 mt -111.93 135.71 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.11 110.926 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.32 17.66 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.259 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.73 -18.99 51.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.632 -0.794 . . . . 61.22 112.988 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.32 150.81 24.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 75.14 111.016 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -78.1 129.57 35.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.747 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.1 m -144.08 149.6 36.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.1 154.33 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.04 110.633 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 26.1 mt -134.31 86.13 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 73.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' OD1' HD12 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -91.6 96.76 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.86 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.0 mm -86.56 109.18 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.25 111.177 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.885 ' CD1' ' HE2' ' A' ' 203' ' ' KOB . 0.2 OUTLIER -88.18 133.5 34.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 54.35 110.596 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 104.86 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.25 110.751 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 p -74.91 -173.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.935 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -125.06 162.55 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 61.14 111.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.16 22.12 42.53 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.46 -0.876 . . . . 63.31 112.473 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -157.53 -47.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.53 110.454 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.935 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 71.1 mm-40 -110.12 143.58 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.011 -0.54 . . . . 70.54 110.54 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 48.99 75.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.03 110.896 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -170.93 -178.37 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.029 -0.532 . . . . 74.43 110.751 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 50.52 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 74.43 111.032 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -58.75 -41.77 87.33 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.943 0.401 . . . . 73.41 110.606 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.595 ' HG2' ' O3B' ' A' ' 203' ' ' KOB . 66.5 mtp -83.99 -27.23 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 63.22 110.68 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -52.1 -50.23 62.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.115 -0.493 . . . . 60.02 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -30.95 12.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.93 0.395 . . . . 54.12 110.953 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.561 ' NE2' ' O3A' ' A' ' 203' ' ' KOB . 4.1 tp-100 -69.43 -47.48 63.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.019 -0.537 . . . . 73.3 110.577 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 203' ' ' KOB . 10.8 m-30 -59.19 -21.88 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 62.32 110.972 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.814 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -73.63 -42.03 61.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.329 -0.396 . . . . 75.33 110.622 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 67.2 mtp180 -76.4 -17.04 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 75.42 111.12 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.1 p -101.01 -15.44 17.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.301 . . . . 62.41 111.029 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -94.41 162.73 24.76 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.695 -0.764 . . . . 71.45 112.808 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 1.1 mt-10 -102.97 -16.26 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.512 0.196 . . . . 63.4 111.219 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.73 -169.94 17.88 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.715 -0.755 . . . . 71.34 112.458 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.8 m-85 -153.89 137.86 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 71.12 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -122.14 123.0 40.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.684 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.8 m -96.02 119.86 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.989 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 16' ' ' LYS . 49.1 t -112.36 116.93 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 71.32 110.981 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.9 p90 -134.78 146.06 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 74.32 110.907 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.73 123.89 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.984 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.1 pt -58.03 -27.46 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.231 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 4.8 p-10 -75.08 -25.41 58.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 72.3 111.009 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -106.59 113.68 27.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 71.15 110.985 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.5 m -72.45 -26.6 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.23 111.098 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.693 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.591 ' HB3' HG12 ' A' ' 14' ' ' VAL . 6.3 m -60.29 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.767 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CE1' HD22 ' A' ' 133' ' ' LEU . 63.0 t80 -59.48 -29.02 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 70.42 110.849 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.58 -41.44 72.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.999 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.44 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 8.0 m-20 -60.47 -34.52 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.949 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.5 mm -59.89 -25.9 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.45 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -77.54 -55.45 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 65.11 110.831 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -64.42 -30.6 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 73.5 111.086 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 4.5 m-85 -59.88 -39.51 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 75.1 110.78 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -37.64 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 73.44 110.772 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.93 -38.65 83.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 71.11 111.065 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.29 -44.55 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.023 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.726 HD13 ' HE3' ' A' ' 111' ' ' MET . 23.8 mt -63.07 -48.37 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.105 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -35.61 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 62.41 111.115 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -58.86 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.662 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 72' ' ' MET . 45.2 t -57.45 -64.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.178 0.513 . . . . 72.1 110.968 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -58.74 -26.54 64.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 75.32 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.47 53.57 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 74.42 110.739 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.85 141.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.543 . . . . 45.02 110.884 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.47 -31.38 62.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.751 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -84.9 95.43 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 52.14 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 110' ' ' PRO . 50.6 t -133.16 136.55 27.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.726 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 109' ' ' VAL . 59.7 Cg_endo -72.93 100.97 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.871 2.381 . . . . 70.52 112.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.772 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -144.26 162.03 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 71.54 110.921 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.629 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -142.96 146.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 74.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -107.49 113.54 26.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 75.23 110.741 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.72 HG22 ' HB1' ' A' ' 155' ' ' ALA . 16.3 t -100.67 146.57 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.249 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.69 91.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.428 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.78 155.79 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 53.34 111.053 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.421 ' HG3' ' C6 ' ' A' ' 201' ' ' GNP . 18.2 mttt 59.8 75.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 75.25 111.048 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.0 t -99.25 -20.78 16.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 62.45 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.94 -23.72 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.446 -0.343 . . . . 73.22 111.271 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.67 139.94 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 75.13 111.175 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.72 26.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.245 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.64 69.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 73.54 110.866 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -86.2 114.51 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 74.35 110.837 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.4 p -88.46 -49.8 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 71.31 110.651 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.8 t -87.59 96.43 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 62.41 110.842 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -54.33 157.25 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 52.54 111.048 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.9 m -57.68 -29.39 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.53 111.044 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -58.32 -47.9 82.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 64.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -41.1 88.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.29 72.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.32 111.115 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -40.82 27.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 62.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.23 -33.41 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.15 110.829 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 90' ' ' PHE . 22.6 tp -77.34 -51.42 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.54 84.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.52 111.081 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -58.0 -30.26 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.888 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -73.3 -36.7 66.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.734 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -74.11 -21.72 59.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.048 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.97 61.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 65.11 112.397 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 111' ' ' MET . 5.4 pt -110.0 156.94 39.14 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.293 . . . . 75.43 111.373 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.8 Cg_endo -70.84 159.69 51.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 71.13 112.418 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -134.19 118.13 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.809 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -120.71 150.62 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.896 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.06 131.17 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 63.22 110.86 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 49.4 p -138.77 159.54 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 70.11 111.153 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 p -131.09 120.96 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 54.24 110.846 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.72 -13.66 60.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 64.55 111.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -92.55 -50.65 5.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 64.24 111.294 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 p -88.25 -21.17 24.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 54.44 111.363 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.73 69.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.987 0.422 . . . . 73.53 110.55 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -125.33 116.09 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 75.44 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 66.59 14.24 62.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 54.03 112.836 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.698 HG11 ' CB ' ' A' ' 22' ' ' GLN . 36.2 t -52.37 -55.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 73.45 111.202 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 23' ' ' LEU . 60.5 mt-10 -66.93 -26.8 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 54.52 110.914 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.05 -51.63 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.97 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.72 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.07 -43.56 82.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.095 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.495 ' CB ' HD13 ' A' ' 23' ' ' LEU . 35.5 m-85 -65.11 -49.83 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.871 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.1 -31.01 60.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.827 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.958 HG21 HD11 ' A' ' 142' ' ' ILE . 4.9 m -57.17 -40.45 77.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 55.01 110.854 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -57.01 -48.05 79.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.696 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.858 HG21 ' CD1' ' A' ' 46' ' ' ILE . 33.4 t -52.71 -38.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.114 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -33.18 67.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 54.22 110.858 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -68.21 -44.4 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.81 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.462 HG13 HD13 ' A' ' 159' ' ' LEU . 37.8 mt -61.31 -45.65 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.017 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -60.26 -34.75 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 72.41 110.8 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -97.46 25.89 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.35 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.235 -0.888 . . . . 63.44 110.978 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.64 HO2' ' HZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.39 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.634 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.886 0.374 . . . . 53.24 111.299 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.33 140.44 31.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.56 . . . . 52.32 110.841 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.18 141.53 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 65.33 110.637 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -135.34 148.1 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.12 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 2.6 mmtm -115.4 117.0 29.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 63.22 110.801 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.77 ' HB2' HD13 ' A' ' 55' ' ' ILE . 2.0 mm? -112.87 95.13 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 45.52 110.874 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 92.3 t -84.55 102.22 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 65.03 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.98 138.55 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 74.31 111.044 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.36 150.21 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 72.34 111.011 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.94 176.31 30.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.469 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -82.79 161.82 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 51.05 111.092 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.19 -19.54 61.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.785 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.61 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 73.1 112.752 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 11' ' ' ALA . 24.0 m -115.48 -34.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 73.31 111.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.49 23.82 8.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 70.0 112.483 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -43.53 98.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 73.54 110.949 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 p -66.82 -32.82 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 53.14 110.823 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -65.42 -48.75 71.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.875 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 152' ' ' VAL . 91.2 mt -65.53 -28.6 69.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.856 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 55' ' ' ILE . 91.9 m -58.75 -55.76 30.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 70.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -30.14 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.772 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -62.76 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 70.24 110.753 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -76.59 -7.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 63.23 111.317 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 42' ' ' LYS . 27.4 mm -105.84 -70.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 72.43 111.204 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -96.09 -19.67 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.406 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 65.41 75.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 72.24 111.072 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.71 163.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.685 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -68.74 134.92 50.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 70.34 110.784 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 32' ' ' TYR . 2.4 t -57.56 126.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 74.02 110.8 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 20.2 t70 175.71 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.761 -0.654 . . . . 63.53 110.626 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -109.83 -18.48 13.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.281 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.727 ' CE1' HG13 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -53.25 144.05 17.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 74.12 110.914 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.15 116.37 8.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 70.44 111.133 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -18.58 15.48 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.522 2.148 . . . . 75.21 112.423 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -74.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 65.44 111.04 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.38 158.25 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 75.41 111.305 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 177.88 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 62.13 110.99 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB2' ' S7 ' ' A' ' 203' ' ' KOB . 10.1 p-10 -46.74 -28.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 71.2 111.376 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -158.78 152.68 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 75.43 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -131.77 168.42 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.765 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -146.2 143.63 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' HD13 ' A' ' 24' ' ' ILE . 9.8 tptt -151.91 147.59 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 60.13 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.8 117.79 33.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.821 -0.627 . . . . 72.23 110.519 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 53' ' ' LEU . 26.0 m -138.94 -178.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 63.11 111.372 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.7 p -126.41 103.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.989 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -88.4 111.55 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.115 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 59.28 40.86 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.5 22.5 77.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 61.52 112.633 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -130.35 107.12 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 75.51 110.806 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -60.0 122.78 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 52.5 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.7 m -145.95 145.15 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 51.11 110.704 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.42 143.43 36.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.812 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 44' ' ' VAL . 42.0 mt -122.41 108.87 13.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.665 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 93.37 6.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.027 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' A' ' 6' ' ' LEU . 47.9 mm -78.08 113.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.734 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.034 HD21 ' CD1' ' A' ' 71' ' ' TYR . 2.5 tp -88.41 119.03 28.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.866 -0.607 . . . . 70.0 111.006 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.63 ' N ' HD12 ' A' ' 56' ' ' LEU . 3.4 t0 -110.13 108.2 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 75.35 110.773 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -98.38 -173.76 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.15 110.809 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 112.51 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 64.21 111.098 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.12 76.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 63.33 112.624 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.91 -76.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 72.11 110.976 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.33 -164.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 71.22 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 72.39 -179.21 0.21 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 75.14 111.091 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER 60.29 27.14 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 74.45 110.932 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 p -60.78 -30.7 70.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.997 0.427 . . . . 63.42 110.422 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.43 -56.7 16.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.839 -0.619 . . . . 43.43 110.779 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.705 ' HB3' ' HAB' ' A' ' 203' ' ' KOB . 4.9 mtp -83.44 -21.6 32.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 63.32 110.996 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -49.27 -31.08 8.23 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.051 0.453 . . . . 72.14 110.322 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -33.63 67.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.811 -0.631 . . . . 73.2 110.184 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 67' ' ' MET . 4.0 tp60 -57.45 -48.48 79.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.778 -0.646 . . . . 72.33 110.243 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 1.034 ' CD1' HD21 ' A' ' 56' ' ' LEU . 23.5 m-85 -51.67 -33.75 35.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 75.24 111.486 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.712 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.3 mtt -73.63 -39.19 64.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.055 0.455 . . . . 71.41 110.151 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.0 mtm180 -81.12 -15.39 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 74.24 111.402 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 70' ' ' GLN . 80.5 p -100.24 -15.36 18.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 53.14 111.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -100.0 159.23 19.54 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.586 -0.816 . . . . 61.03 113.441 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -105.97 -13.42 15.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 73.11 110.828 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.458 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.96 170.02 31.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.887 -0.673 . . . . 70.41 112.089 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CE2' HG23 ' A' ' 100' ' ' ILE . 69.5 m-85 -138.39 140.6 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 73.3 111.283 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.4 121.16 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.22 110.756 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 18.6 m -97.99 115.98 29.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.31 122.05 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.056 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD11 ' A' ' 113' ' ' LEU . 17.1 p90 -136.04 141.92 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.823 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.25 123.78 32.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 73.35 111.044 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.909 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.5 pt -56.34 -31.58 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 64.12 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -24.47 65.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 62.23 111.012 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -113.22 103.49 11.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.389 . . . . 72.1 110.886 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.691 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.5 -23.59 67.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.027 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -44.37 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 62.31 110.743 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 13.3 m -56.96 -36.75 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 51.02 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.93 -29.06 69.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.51 110.877 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.0 -31.55 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.3 m-20 -72.23 -31.48 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.1 mm -61.34 -28.35 43.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.23 110.969 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -73.18 -55.44 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.14 -28.69 68.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.079 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -58.35 -42.23 86.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 72.1 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.425 HH12 HG22 ' A' ' 93' ' ' ILE . 2.1 ttm105 -65.22 -34.05 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 54.51 110.741 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.2 -45.26 91.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.68 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -40.2 95.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 71.43 110.583 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.692 HG23 ' CE2' ' A' ' 78' ' ' PHE . 83.5 mt -62.08 -53.18 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 51.32 111.06 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.79 -35.6 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.228 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -61.4 -59.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 70.21 111.024 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.712 HG11 ' HB2' ' A' ' 72' ' ' MET . 27.5 t -62.69 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 5.0 mmmt -59.18 -28.06 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 73.31 111.019 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t0 62.44 50.97 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.706 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.43 140.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 74.31 110.811 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -75.19 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 65.13 111.0 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -90.55 89.38 7.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.126 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.687 HG23 ' SD ' ' A' ' 111' ' ' MET . 0.0 OUTLIER -121.65 152.79 59.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 53.01 110.947 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HB2' HG12 ' A' ' 163' ' ' ILE . 59.9 Cg_endo -71.93 108.48 2.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.646 2.23 . . . . 64.32 112.524 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.791 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -158.92 165.96 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.724 179.704 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.6 t -144.2 151.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.348 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tp -111.86 114.01 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 71.14 110.926 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.726 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 15.8 t -102.17 144.46 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.136 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 84.84 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 74.31 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.653 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.2 t-20 -64.38 169.44 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 75.31 110.922 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' A' ' 120' ' ' LEU . 11.0 mttt 61.08 51.71 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 t -87.19 -13.51 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 64.33 111.286 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -91.05 -18.05 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.507 -0.315 . . . . 73.22 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 117' ' ' LYS . 4.1 mm? -48.46 158.78 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 72.52 111.24 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.24 41.3 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.149 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.71 56.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 55.32 111.037 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.909 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.2 ptm180 -68.78 126.25 29.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.041 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.6 p -94.04 -26.18 16.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.583 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.691 HG22 HG23 ' A' ' 87' ' ' THR . 57.4 t -119.06 98.67 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.119 -0.491 . . . . 51.25 110.907 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.68 161.09 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 74.51 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.2 p -56.57 -29.93 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 64.31 110.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -59.82 -46.33 89.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.797 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.37 -36.85 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.84 56.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 62.44 111.162 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -33.27 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 75.3 110.943 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.4 -36.18 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.442 HD11 ' OH ' ' A' ' 137' ' ' TYR . 27.9 tp -78.25 -51.53 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.0 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.13 111.113 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -64.73 -23.52 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.086 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.4 t -77.97 -41.39 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 53.43 110.715 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -74.75 -19.93 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 74.31 111.012 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.96 17.63 62.8 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.416 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.791 HG21 ' HG2' ' A' ' 111' ' ' MET . 7.5 pt -107.71 156.83 37.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 62.2 111.485 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.613 ' HG2' HG13 ' A' ' 112' ' ' VAL . 60.2 Cg_endo -73.02 154.28 52.65 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 73.35 112.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -126.36 118.4 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -117.88 157.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.028 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.4 mt-10 -121.56 131.39 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.859 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.2 p -141.65 179.4 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 73.41 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -147.14 117.94 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.838 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -67.55 -22.65 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.39 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -83.41 -61.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 75.21 111.142 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -19.66 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.4 111.364 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.85 63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 74.21 110.657 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -114.23 120.38 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.85 28.06 51.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.803 -0.713 . . . . 73.04 112.677 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD22 ' A' ' 19' ' ' LEU . 26.3 t -57.46 -55.87 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.33 111.06 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.5 mt-10 -66.82 -28.29 68.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.829 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -34.01 63.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.726 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -75.65 -40.08 56.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.913 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 23' ' ' LEU . 25.8 m-85 -68.76 -50.47 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.82 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.6 m-85 -54.68 -33.45 60.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 65.35 111.064 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.9 HG21 HD11 ' A' ' 142' ' ' ILE . 84.8 m -58.44 -34.62 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 62.43 110.905 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.691 HD23 HD12 ' A' ' 6' ' ' LEU . 23.8 tp -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.52 110.789 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.73 -48.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.952 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -66.4 -28.99 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.801 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.56 -54.85 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.783 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.458 HD11 ' HA3' ' A' ' 77' ' ' GLY . 69.8 mt -59.15 -52.03 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.303 -0.408 . . . . 64.51 111.048 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -48.1 -33.85 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.989 -0.55 . . . . 73.15 110.981 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -31.98 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.839 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.215 -0.898 . . . . 72.44 110.873 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.518 ' O1G' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.337 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.518 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.116 0.484 . . . . 75.41 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -101.06 148.48 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.643 -0.708 . . . . 74.35 110.542 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD13 ' A' ' 52' ' ' LEU . 1.4 mt-10 -109.49 118.33 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.926 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.409 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.2 m-85 -108.03 123.92 49.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 63.43 110.929 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -101.25 119.47 38.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.781 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 159' ' ' LEU . 10.8 mt -113.7 119.0 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.095 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.455 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 40.7 t -87.37 102.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.55 111.04 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG21 HG22 ' A' ' 55' ' ' ILE . 21.8 t -79.37 124.78 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.51 111.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.5 m -135.51 149.52 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 71.13 111.048 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 63.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 72.02 112.631 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.75 -169.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 74.53 111.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.96 43.14 1.61 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 54.22 112.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' HA2' ' O1B' ' A' ' 201' ' ' GNP . . . -177.5 36.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 45.42 112.441 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' A' ' 89' ' ' SER . 14.5 m -110.82 -26.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 72.31 111.354 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.37 18.56 6.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 61.22 112.685 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -36.61 80.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 74.55 110.722 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -43.17 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.709 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.75 80.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HG13 ' A' ' 152' ' ' VAL . 42.8 mt -66.03 -31.75 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 m -67.57 -52.12 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.33 -29.0 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.792 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -67.33 -42.6 83.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 60.31 110.604 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 156' ' ' PHE . 54.9 tp -76.62 -7.62 55.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 75.22 111.228 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.41 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.3 mm -111.94 -69.25 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 74.01 111.298 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -87.02 -26.39 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.04 111.385 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 70.1 68.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 73.14 110.95 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.63 153.52 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 62.1 110.717 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CZ ' " O2'" ' A' ' 201' ' ' GNP . 1.8 t80 -62.79 129.45 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 63.24 110.666 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 32' ' ' TYR . 2.6 t -50.89 136.6 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.97 0.414 . . . . 70.12 111.072 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -179.98 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 64.31 110.795 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.45 28.16 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 71.11 111.053 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 29' ' ' VAL . 44.9 p90 -58.39 142.86 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.399 -0.364 . . . . 61.31 110.84 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -50.95 106.39 0.64 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.103 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.98 -25.75 31.93 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.376 2.051 . . . . 72.13 112.268 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -58.51 -27.97 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.958 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.93 158.95 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 71.13 111.227 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.48 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 64.35 110.893 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -50.75 -27.73 7.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.58 . . . . 75.5 111.211 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -161.43 165.36 28.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 73.33 110.979 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -140.35 114.38 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.746 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -97.52 135.96 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.965 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' HD13 ' A' ' 24' ' ' ILE . 21.1 tttm -148.91 151.03 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.35 110.786 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -109.33 120.64 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.727 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 27.4 m -133.85 176.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.23 111.267 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.99 102.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.004 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.4 mt -127.28 138.2 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.026 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.54 29.33 15.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 54.11 110.935 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.94 27.0 67.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.4 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -145.47 105.99 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 71.14 110.851 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -55.64 129.64 39.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.8 m -146.74 156.27 43.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 61.03 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.448 HD13 ' HG3' ' A' ' 3' ' ' GLU . 1.8 mt -84.71 145.15 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 65.24 110.716 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.655 HD11 HG21 ' A' ' 44' ' ' VAL . 53.5 mt -115.22 93.34 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.061 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -86.19 99.44 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.808 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.544 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.7 mm -91.25 110.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 63.4 111.078 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 7' ' ' VAL . 8.6 tp -79.8 120.84 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.997 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.0 t70 -118.58 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 10.5 p -80.48 -175.95 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.046 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.17 130.05 48.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 45.44 111.056 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.07 -24.55 71.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.68 -169.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 72.25 110.876 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.98 -177.07 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 71.21 110.988 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -124.61 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.119 0.485 . . . . 74.3 111.079 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 67' ' ' MET . 0.4 OUTLIER -94.79 40.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 74.44 110.849 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -37.69 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.785 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.01 -24.67 25.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.01 111.101 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.429 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -83.92 -23.09 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.09 -179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.27 -48.29 79.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.992 0.425 . . . . 72.03 109.944 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -30.4 64.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 73.23 110.113 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -79.54 -41.27 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 70.43 110.424 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 20.4 m-30 -58.47 -42.3 87.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 65.04 110.573 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -70.7 -37.03 73.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 54.24 110.021 179.215 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 67.6 mtp180 -77.38 -14.51 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 65.24 110.969 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' GLN . 50.8 p -98.83 -21.92 16.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.318 -0.401 . . . . 52.51 110.442 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -98.49 159.15 20.44 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.757 -0.735 . . . . 61.33 113.065 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.2 mm-40 -102.16 -16.28 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 34.31 110.877 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.39 167.05 30.21 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.021 -0.609 . . . . 32.32 112.15 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 104' ' ' LYS . 3.1 m-85 -136.58 148.13 47.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 72.02 111.147 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.53 115.93 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.41 110.873 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 93' ' ' ILE . 35.0 m -90.69 104.02 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.953 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 9' ' ' VAL . 7.5 p -115.52 134.86 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.54 110.982 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 113' ' ' LEU . 4.5 p90 -147.64 153.8 39.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 60.33 110.791 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.67 125.21 35.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.132 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.5 pt -61.9 -27.6 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.236 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.463 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 2.9 p-10 -71.17 -23.62 62.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -113.22 119.62 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 75.43 110.86 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.9 m -69.02 -33.59 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.91 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -56.54 -44.4 80.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 74.33 110.913 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.528 ' HB3' HG12 ' A' ' 14' ' ' VAL . 82.1 p -59.49 -37.63 78.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 72.51 110.905 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 23.6 t80 -68.17 -36.85 80.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -27.12 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 53.45 111.109 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -69.41 -37.29 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 65.41 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.785 HG23 ' HB3' ' A' ' 80' ' ' CYS . 24.9 mm -59.85 -27.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 74.22 111.035 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.24 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 62.2 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.12 -28.05 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 75.12 110.984 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -33.93 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.922 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.77 -34.19 76.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.83 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -44.55 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.814 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -68.5 -43.79 83.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.975 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -35.42 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 52.21 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -69.87 -58.93 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.2 111.182 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 42.8 t -56.24 -52.21 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 71.23 111.104 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.757 ' HG3' HG11 ' A' ' 109' ' ' VAL . 13.4 mmtm -66.38 -26.61 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.95 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t0 68.54 38.76 2.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 74.43 110.78 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -176.02 164.02 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.842 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -104.54 18.22 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 34.55 111.261 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -126.62 82.0 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 54.12 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 104' ' ' LYS . 33.2 m -130.24 154.34 81.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.252 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.454 ' HB2' HG12 ' A' ' 163' ' ' ILE . 55.6 Cg_endo -70.33 106.59 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.601 2.201 . . . . 63.55 112.284 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.715 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.5 ptp -149.93 171.59 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 75.45 110.94 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.9 t -144.07 160.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.03 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.81 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.8 tp -125.48 106.48 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.805 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 19.9 t -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 61.12 111.357 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.64 87.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 65.13 112.275 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.98 169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.38 . . . . 74.53 111.06 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp 61.03 59.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.962 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.8 t -102.24 4.86 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 53.22 111.352 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.93 -28.41 8.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.729 0.299 . . . . 74.11 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.55 HD21 ' N2 ' ' A' ' 201' ' ' GNP . 14.9 mt -53.52 153.68 4.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 70.11 111.094 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.84 31.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 54.11 111.138 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.86 79.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.068 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.74 112.26 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.714 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.7 p -86.17 -49.85 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.674 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.47 101.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.828 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 161.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.14 111.078 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 m -62.02 -40.84 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 63.53 111.045 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -55.93 -46.35 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.995 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -61.02 -41.63 96.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.14 111.009 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -71.04 -33.48 70.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 52.43 111.154 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -33.13 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.12 110.884 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.78 -45.98 85.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.74 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.4 tm? -69.82 -51.86 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 64.43 111.013 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.81 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -54.91 -47.87 73.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.907 -0.588 . . . . 63.23 111.207 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -59.95 -29.16 68.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.02 111.039 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.0 t -77.95 -21.56 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 54.21 110.944 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.74 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.1 m-30 -88.65 -22.3 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.212 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.55 16.66 65.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 64.5 112.555 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.715 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.5 pt -112.09 157.17 40.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.74 0.305 . . . . 64.53 111.361 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.531 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.7 Cg_endo -71.75 149.11 53.84 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 72.3 112.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -119.43 116.96 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 75.14 110.489 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 158' ' ' THR . 2.4 mp -117.66 152.62 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.099 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.71 129.68 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.53 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 151' ' ' GLY . 45.2 p -138.97 169.5 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.081 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.08 121.3 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.833 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.37 -6.43 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 54.22 111.668 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.51 -47.23 6.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 71.13 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -95.3 -14.87 23.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.418 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.38 61.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 73.12 110.65 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.35 118.62 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 61.43 110.997 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.22 13.96 58.69 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.805 -0.712 . . . . 73.13 112.958 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.699 HG13 ' CD2' ' A' ' 19' ' ' LEU . 46.4 t -53.25 -60.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 63.03 111.344 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -62.03 -34.39 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 65.41 110.833 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.38 -34.74 49.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.948 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.65 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -74.76 -44.6 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 75.03 111.012 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 23' ' ' LEU . 53.6 m-85 -63.56 -51.02 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 64.4 111.008 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.64 -30.14 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.199 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.757 HG21 HD11 ' A' ' 142' ' ' ILE . 59.9 m -58.79 -32.77 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 55.4 111.048 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.618 ' CD2' HD22 ' A' ' 6' ' ' LEU . 27.9 tp -73.11 -40.94 64.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.3 t -54.22 -44.9 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 41.24 111.279 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -39.74 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 64.02 110.977 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.73 -54.84 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.42 110.973 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 110' ' ' PRO . 46.5 mt -56.35 -42.87 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.322 -0.399 . . . . 75.01 111.159 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -56.73 -47.08 80.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.981 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.61 -44.34 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.3 110.841 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.226 -0.892 . . . . 71.45 110.842 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.55 ' N2 ' HD21 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.355 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.763 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.799 0.333 . . . . 74.43 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.45 149.8 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.693 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.12 109.32 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 55.21 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -97.06 113.45 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.95 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.05 99.92 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 53.51 110.819 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 159' ' ' LEU . 4.2 mm? -89.48 95.15 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 60.14 110.71 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 56' ' ' LEU . 11.7 t -84.23 102.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 64.1 111.09 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.09 112.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 63.43 111.298 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.66 -175.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 71.22 111.056 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 126.9 163.01 11.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 60.42 112.487 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.673 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -62.22 166.16 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 63.41 111.105 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' O ' ' O2G' ' A' ' 201' ' ' GNP . . . -66.51 -10.94 55.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.848 -0.691 . . . . 71.0 112.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.99 57.08 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.554 -0.831 . . . . 54.32 112.642 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 89' ' ' SER . 33.3 m -120.3 -5.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.786 0.291 . . . . 75.21 111.786 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.23 21.85 69.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 41.13 112.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.15 75.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 71.41 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -25.88 62.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.205 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -59.06 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 41.45 111.357 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' CZ ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -56.68 -28.98 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.263 -179.752 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.438 HG23 HG21 ' A' ' 55' ' ' ILE . 30.6 m -54.42 -46.84 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 24.3 111.187 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.7 mp -75.14 -32.78 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.346 -0.388 . . . . 74.33 110.747 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -59.19 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.53 110.638 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -60.25 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.35 110.614 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.6 -60.46 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 61.11 110.999 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -104.47 -126.3 0.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.198 -0.455 . . . . 71.15 110.27 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 p30 174.92 44.36 0.0 OUTLIER 'General case' 0 C--O 1.23 0.073 0 O-C-N 121.97 -0.456 . . . . 71.12 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -136.41 10.13 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 62.04 111.589 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 63.35 139.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.686 0.279 . . . . 73.31 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 32' ' ' TYR . 26.0 t -51.47 144.8 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.103 0.477 . . . . 43.31 111.222 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 25.2 t70 174.91 -36.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 51.5 110.516 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.24 71.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.935 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CD1' HG13 ' A' ' 29' ' ' VAL . 28.0 p90 -141.08 157.13 45.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 62.44 110.79 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.37 132.94 24.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 73.25 111.009 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -15.2 35.03 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.441 2.094 . . . . 74.05 112.36 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 p -76.22 -5.52 47.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 75.25 111.487 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 ' C ' ' A' ' 37' ' ' GLU . 1.4 pp -130.15 173.56 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.94 0.4 . . . . 62.35 111.225 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' C ' HD12 ' A' ' 36' ' ' ILE . 1.1 tm-20 -92.33 112.73 24.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 71.44 110.992 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.19 66.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.5 p -113.23 140.69 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 74.05 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -144.5 166.12 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 63.12 110.737 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -147.54 129.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.915 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -124.89 147.27 48.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.31 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG3' HD22 ' A' ' 52' ' ' LEU . 6.6 tt0 -95.35 120.72 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.813 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 53' ' ' LEU . 34.4 m -129.76 176.86 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.19 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.78 102.28 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.994 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.636 HG21 HG11 ' A' ' 160' ' ' VAL . 44.1 mt -116.24 139.63 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.045 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.62 16.66 10.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 63.0 111.241 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.37 51.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 72.32 112.956 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -107.21 147.99 29.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 60.45 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.2 m -72.98 129.21 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 73.04 110.752 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.9 m -144.69 146.91 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.931 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.763 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.5 155.62 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 75.51 110.807 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 44' ' ' VAL . 33.7 mt -126.56 81.55 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.029 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.26 99.89 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.681 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 6' ' ' LEU . 17.0 mm -87.34 109.19 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.447 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -92.58 100.78 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 53.35 110.657 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.51 104.41 16.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.98 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HD11 ' A' ' 56' ' ' LEU . 27.4 p -75.41 -174.15 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.617 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.25 157.76 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.336 -0.393 . . . . 74.44 111.229 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.13 -25.08 7.26 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.687 -0.768 . . . . 71.43 112.178 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -99.62 179.23 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 63.25 110.705 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 58.3 -174.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 64.55 110.822 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -97.0 -79.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.775 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 52.73 36.17 20.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 73.25 111.071 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.96 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.134 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.623 ' HB3' ' O3A' ' A' ' 203' ' ' KOB . 6.1 ptp -65.33 -32.73 74.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.968 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -51.05 -51.12 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.63 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.272 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.92 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -67.83 -48.92 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 75.22 110.487 179.566 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 67' ' ' MET . 22.0 m-85 -51.53 -37.13 47.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 70.42 111.319 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.782 ' HB2' HG11 ' A' ' 103' ' ' VAL . 2.4 mtt -67.44 -46.48 72.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.41 -0.589 . . . . 72.42 109.41 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.7 mtp180 -72.12 -10.14 59.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.511 -0.768 . . . . 71.33 111.195 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.92 HG23 ' O ' ' A' ' 70' ' ' GLN . 45.3 p -99.02 -23.28 15.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 73.31 110.832 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -104.77 166.35 14.84 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.573 -0.822 . . . . 54.41 113.664 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 0.7 OUTLIER -112.11 -13.12 13.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.352 . . . . 74.3 110.876 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.3 151.11 22.84 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.796 -0.716 . . . . 54.44 112.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.86 155.7 37.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 73.33 111.17 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 116.89 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 71.44 110.8 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.845 ' HB3' HD12 ' A' ' 93' ' ' ILE . 63.8 m -90.66 110.92 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 71.24 110.969 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 116' ' ' ASN . 74.5 t -107.58 111.46 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 64.42 111.039 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.12 144.81 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.637 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.65 33.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 74.23 110.968 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.1 pt -61.25 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.22 111.002 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.83 -28.51 30.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.881 -0.6 . . . . 72.22 110.732 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.02 106.48 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.795 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 125' ' ' VAL . 1.8 m -67.38 -27.4 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.075 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -62.1 -45.43 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 75.12 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.697 ' CB ' HG12 ' A' ' 14' ' ' VAL . 93.8 p -53.84 -43.96 69.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 64.22 110.887 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 20.8 t80 -59.84 -27.82 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.712 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.96 -29.83 55.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 63.04 111.073 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.23 -33.06 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 75.11 111.084 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 ' HB3' ' A' ' 80' ' ' CYS . 20.4 mm -60.94 -31.66 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -69.63 -55.35 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.24 110.722 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.67 -28.35 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 65.14 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.2 m-85 -58.54 -48.78 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.99 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -55.44 -30.71 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.126 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.71 -41.05 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 54.31 110.839 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -24.31 62.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.039 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.674 HG21 ' HE2' ' A' ' 111' ' ' MET . 6.6 mm -74.99 -44.31 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 55.53 111.135 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -59.85 -32.79 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 72.25 111.179 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -59.11 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.354 . . . . 72.24 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 72' ' ' MET . 46.7 t -62.05 -52.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 74.22 110.823 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -26.67 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 73.51 110.805 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.3 t0 62.42 50.15 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 72.14 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 176.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.71 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -79.3 81.14 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.23 111.007 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.51 144.05 32.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.979 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 53.4 Cg_endo -68.76 100.93 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 70.22 112.503 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.674 ' HE2' HG21 ' A' ' 100' ' ' ILE . 3.2 ttm -134.42 173.31 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.935 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 159' ' ' LEU . 16.3 t -146.92 153.81 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 62.21 111.128 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.8 tp -128.84 112.2 13.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.15 110.817 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.2 t -109.18 154.75 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 75.3 111.336 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -108.43 78.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 75.51 112.319 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.423 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 4.2 t-20 -55.76 156.75 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 71.42 110.982 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.8 mttp 63.04 57.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 72.22 110.943 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 t -91.8 -22.32 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 62.31 111.068 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -77.91 -25.23 48.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.359 . . . . 74.41 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 117' ' ' LYS . 21.0 mt -51.21 166.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 73.35 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -121.44 27.19 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 72.3 111.338 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.56 73.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 55.04 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptm180 -90.41 139.66 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 72.33 110.893 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -110.28 -24.67 10.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 44.45 110.686 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 87' ' ' THR . 21.6 t -111.84 104.28 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.104 -0.498 . . . . 70.52 111.088 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.04 161.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 55.32 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.3 p -63.05 -35.65 80.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 72.14 111.053 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.48 -48.59 80.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.65 -40.91 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.06 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.34 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.1 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -29.22 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.13 -36.0 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 74.22 110.955 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.437 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 15.5 tp -81.15 -50.91 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.823 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.27 -44.29 88.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.197 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -56.72 -41.57 77.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.3 t -75.35 -33.77 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.753 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 m-30 -69.3 -24.79 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 71.13 111.037 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.19 12.66 59.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.65 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.414 HG21 ' HB3' ' A' ' 111' ' ' MET . 11.2 pt -112.3 151.59 43.85 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 55.32 111.379 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.55 160.34 50.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.54 2.16 . . . . 61.25 112.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -124.9 118.93 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.752 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 1.045 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -121.9 160.33 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 74.21 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 142' ' ' ILE . 26.4 mt-10 -120.08 133.12 55.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 64.24 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.1 p -145.54 171.37 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 62.42 111.109 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.18 117.18 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 74.31 110.702 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.45 -23.36 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.466 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -66.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 73.05 111.2 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.3 p -80.95 -13.91 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.574 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 152' ' ' VAL . 1.4 ttt-85 62.59 57.3 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 71.51 110.613 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -108.35 130.06 55.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 70.34 110.911 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.525 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.14 21.38 46.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 64.31 112.814 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.49 HG21 ' HG3' ' A' ' 149' ' ' ARG . 25.8 t -57.58 -58.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 64.34 111.031 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -62.98 -31.3 72.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.769 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -54.03 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.34 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -60.78 -48.08 83.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.003 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.629 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 20.4 m-85 -57.71 -51.61 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 64.13 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.56 -25.68 60.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 72.22 111.12 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . 1.045 HG21 HD11 ' A' ' 142' ' ' ILE . 2.0 m -57.12 -50.19 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 65.5 111.196 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 6' ' ' LEU . 19.1 tp -59.01 -34.38 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 65.52 111.028 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.636 HG11 HG21 ' A' ' 46' ' ' ILE . 53.3 t -56.4 -50.2 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.35 . . . . 43.32 111.013 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.95 -28.74 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.881 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.8 -50.72 27.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.079 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.401 HD11 ' HG ' ' A' ' 159' ' ' LEU . 68.1 mt -60.15 -36.41 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.274 -0.421 . . . . 74.25 111.189 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -65.47 -21.64 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 74.41 111.143 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.87 26.22 4.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.824 0.345 . . . . 61.34 111.156 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.223 -0.894 . . . . 64.34 110.925 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.624 " H2'" " O5'" ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 0.623 ' O3A' ' HB3' ' A' ' 67' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.879 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.039 0.447 . . . . 72.42 111.34 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.402 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -77.8 146.69 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.737 -0.665 . . . . 73.35 110.819 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -98.11 126.47 43.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.661 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.402 ' CZ ' HG21 ' A' ' 2' ' ' THR . 33.7 m-85 -118.96 125.07 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.114 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.38 106.36 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.673 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 159' ' ' LEU . 41.0 mt -97.49 108.51 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.053 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.19 102.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.45 110.952 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -83.61 139.62 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.25 111.192 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.3 m -137.93 157.02 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 74.02 110.938 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.89 176.99 47.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 24.13 112.585 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.17 25.0 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 75.41 111.228 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -78.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.66 -0.781 . . . . 74.23 112.55 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.52 -23.71 36.34 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.83 -0.7 . . . . 62.5 112.735 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG12 ' HB2' ' A' ' 89' ' ' SER . 16.1 m -53.74 -39.11 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 61.34 111.322 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.39 50.87 1.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 73.11 112.611 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 302' ' ' HOH . 2.1 pttt -77.16 -30.56 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 73.54 110.884 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -32.44 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 146' ' ' ALA . . . -53.8 -53.02 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 62.44 111.219 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 HG13 ' A' ' 152' ' ' VAL . 38.5 mt -62.56 -38.11 88.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.836 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.724 HG23 ' CG2' ' A' ' 55' ' ' ILE . 91.9 m -62.93 -58.21 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.817 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.52 -29.32 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.793 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -71.23 -44.51 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 60.13 110.751 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 156' ' ' PHE . 1.3 tt -76.79 -4.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.413 HG21 ' CD2' ' A' ' 40' ' ' TYR . 26.2 mm -118.1 -69.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.803 0.335 . . . . 75.13 111.221 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 2.8 mp0 -79.35 -30.92 42.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.102 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m120 73.1 66.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 65.12 111.306 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 5.9 p80 -177.11 155.31 1.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.759 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.6 OUTLIER -58.79 128.62 38.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 71.22 110.916 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG23 ' HA ' ' A' ' 18' ' ' ALA . 12.5 t -54.44 148.09 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.967 0.413 . . . . 75.41 111.124 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 19.2 t70 175.19 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.732 -0.667 . . . . 72.01 110.404 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.07 75.73 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.779 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -140.97 168.24 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' HB3' HG21 ' A' ' 36' ' ' ILE . 4.7 m-20 -102.13 149.53 36.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.974 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.86 111.97 3.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.602 2.202 . . . . 60.03 112.33 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m 55.79 89.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 51.42 110.996 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 33' ' ' ASP . 2.7 pp -147.32 179.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.54 -104.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 74.25 110.688 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 45.45 49.33 10.62 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.934 0.397 . . . . 73.21 111.044 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.5 p -53.92 147.79 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 73.22 111.048 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' HG21 ' A' ' 24' ' ' ILE . 5.8 m-85 -87.01 164.18 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 64.13 110.906 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -143.16 106.42 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.837 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -112.36 145.89 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.964 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -104.88 132.08 51.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 70.25 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.73 174.93 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.66 100.8 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.5 mt -114.66 138.44 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.021 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t0 63.6 17.69 10.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 53.15 111.23 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.15 40.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 63.13 112.858 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -102.21 155.17 18.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.2 111.1 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.0 m -92.12 131.44 37.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.702 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.8 m -146.8 146.64 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 63.31 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.879 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.96 146.96 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.643 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 mt -118.33 109.02 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 72.15 110.84 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.46 90.79 3.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.151 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.724 ' CG2' HG23 ' A' ' 20' ' ' THR . 1.6 mp -79.87 116.09 23.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 62.45 110.718 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.923 HD21 ' CD1' ' A' ' 71' ' ' TYR . 16.6 tp -83.15 126.77 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.034 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -112.14 78.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 61.52 110.931 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.406 HG23 ' HG ' ' A' ' 56' ' ' LEU . 13.8 p -80.42 -173.76 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 53.4 110.937 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.56 162.68 13.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 55.42 111.344 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.13 -49.2 60.39 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.953 -0.642 . . . . 60.34 112.535 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -166.12 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 72.24 110.69 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 51.03 27.94 3.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 73.02 111.356 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 56.67 32.08 20.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 74.21 110.9 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE2' ' HG2' ' A' ' 67' ' ' MET . 0.0 OUTLIER -95.33 39.17 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 75.11 110.979 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 p -58.96 -29.09 66.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 40.53 110.18 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.06 77.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.842 -0.617 . . . . 71.4 110.764 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.888 ' HA ' ' HAC' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -84.11 -42.16 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.6 -0.727 . . . . 75.34 110.8 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -54.59 -44.72 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 74.23 111.326 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.06 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 72.35 111.133 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.697 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 13.2 tp60 -75.5 -37.22 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.176 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.923 ' CD1' HD21 ' A' ' 56' ' ' LEU . 25.6 m-85 -59.0 -37.44 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.374 -0.375 . . . . 74.33 111.154 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.625 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mtt -67.86 -35.81 79.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 63.2 110.305 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -81.48 -15.21 55.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.648 . . . . 75.02 111.236 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -104.72 -5.33 21.4 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.456 -0.338 . . . . 72.53 111.577 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.46 160.64 13.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.442 -0.885 . . . . 72.41 112.995 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -103.75 -15.59 15.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.669 0.271 . . . . 70.41 111.071 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.11 174.11 28.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 30.32 112.526 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 63.6 m-85 -143.83 136.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 75.31 111.077 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.05 116.62 27.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 72.24 110.754 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' HD12 ' A' ' 93' ' ' ILE . 1.3 m -97.49 123.41 41.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 63.21 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HD11 ' A' ' 93' ' ' ILE . 22.6 m -105.21 131.19 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.987 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -128.11 128.82 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.765 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.9 123.72 34.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.96 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.809 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.7 pt -64.74 -22.04 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 42.2 111.204 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.88 8.1 30.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 64.43 111.245 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -138.38 107.39 6.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.836 0.35 . . . . 62.51 110.919 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.448 ' HA ' HG21 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -61.45 -30.71 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.21 110.831 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -67.07 -39.0 86.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.857 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.579 ' HB2' HG12 ' A' ' 14' ' ' VAL . 64.6 p -59.12 -40.37 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 60.33 110.667 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 11.8 t80 -63.43 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.741 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.92 -26.67 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.026 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -70.54 -33.78 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 73.42 110.981 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.828 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.3 mm -60.7 -30.46 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 62.4 110.863 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.97 -55.43 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.854 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.54 -31.44 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.051 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.6 m-85 -61.05 -48.13 83.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 74.25 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.91 -35.34 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.98 -27.02 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 61.04 111.008 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 72' ' ' MET . 2.7 tp60 -77.35 -34.9 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.498 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' HE1' ' A' ' 111' ' ' MET . 59.9 mt -68.9 -46.54 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.011 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -59.24 -26.74 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 71.45 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -67.47 -58.9 3.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 73.43 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.625 HG11 ' HB2' ' A' ' 72' ' ' MET . 22.0 t -61.37 -54.72 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 70.22 111.14 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.7 47.91 2.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.4 152.79 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.817 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -90.64 -36.13 14.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 70.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.16 82.11 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.933 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.04 151.95 45.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 74.1 111.026 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.16 104.23 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.568 2.179 . . . . 74.03 112.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.72 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.3 ptp -152.88 168.19 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.843 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.0 t -143.04 149.74 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.15 111.209 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -107.76 107.05 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.84 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.863 HG21 HD21 ' A' ' 79' ' ' LEU . 19.9 t -101.23 139.15 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.264 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.99 97.49 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.764 -0.731 . . . . 64.11 112.477 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -76.56 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 75.55 110.95 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 120' ' ' LEU . 8.4 mtpt 62.4 69.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 65.34 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.3 t -108.45 -22.26 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.099 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.13 -24.97 32.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 74.43 111.181 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 117' ' ' LYS . 11.9 mt -50.59 161.99 0.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 74.3 111.057 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.63 29.87 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 64.32 111.304 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.36 57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 73.25 111.192 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.809 ' CB ' HD12 ' A' ' 84' ' ' ILE . 8.1 ptp85 -83.52 138.3 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 63.23 111.049 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.1 p -106.28 -48.73 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 55.44 110.769 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 87' ' ' THR . 58.2 t -100.21 104.46 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.963 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.6 155.4 12.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.945 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.9 m -57.0 -29.8 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 63.15 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -58.77 -39.94 82.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 60.43 110.844 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.29 -34.71 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.437 ' HB2' ' CE2' ' A' ' 82' ' ' PHE . . . -79.86 -35.69 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 35.13 111.085 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -41.78 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.958 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.57 -42.79 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.702 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.2 tm? -66.95 -51.96 48.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.45 111.19 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.32 -41.08 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 63.42 110.906 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -61.91 -23.85 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 70.31 110.97 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 p -76.62 -35.79 57.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 54.2 110.803 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.702 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 22.8 m-85 -76.66 -21.6 55.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.55 111.113 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.09 14.67 62.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.768 . . . . 61.35 112.601 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.72 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.0 pt -108.33 151.01 41.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.721 0.296 . . . . 65.32 111.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.489 ' HG2' HG13 ' A' ' 112' ' ' VAL . 34.1 Cg_endo -65.05 151.51 85.5 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.602 2.202 . . . . 74.14 112.433 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -123.26 106.5 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 52.24 110.508 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.655 HD11 HG21 ' A' ' 158' ' ' THR . 4.7 mp -108.07 144.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.016 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.11 131.99 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.54 111.011 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.6 p -142.26 174.63 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 61.41 110.957 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.48 124.72 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.862 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.761 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . . . -79.26 -2.39 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.55 111.582 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -95.02 -29.3 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.319 . . . . 70.14 110.986 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.0 p -122.42 1.35 9.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 61.13 111.571 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 28.5 ttt180 49.35 67.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.901 0.382 . . . . 64.34 111.135 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.33 117.43 29.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 63.01 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.464 ' O ' HG22 ' A' ' 144' ' ' THR . . . 56.24 20.83 30.35 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.861 -0.685 . . . . 42.12 112.941 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.49 HG13 HD22 ' A' ' 19' ' ' LEU . 19.9 t -54.52 -55.54 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.833 0.349 . . . . 73.11 111.297 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 mp0 -66.43 -27.6 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.814 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -56.54 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.907 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.856 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -56.17 -35.54 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 71.42 111.158 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 23' ' ' LEU . 3.2 m-85 -70.71 -50.89 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.0 m-85 -53.94 -27.56 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 72.44 111.153 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 142' ' ' ILE . 9.5 m -56.84 -43.16 80.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 55.34 111.13 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.773 HD13 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -55.73 -32.27 63.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 72.14 110.799 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.4 t -59.95 -53.72 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 72.32 110.986 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -63.02 -31.38 72.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.782 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.48 -47.18 57.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD22 ' A' ' 159' ' ' LEU . 42.4 mt -66.7 -34.96 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.137 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.3 mtm-85 -51.32 -29.9 16.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.058 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -108.17 -35.35 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.915 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.257 -0.877 . . . . 44.32 110.92 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.632 ' N3B' ' O1A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 0.888 ' HAC' ' HA ' ' A' ' 67' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 302' ' ' HOH . . . . . 0.412 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.029 0.443 . . . . 75.41 111.344 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.27 144.92 23.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 65.53 110.635 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -109.14 115.42 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.935 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.547 ' HB2' HD23 ' A' ' 53' ' ' LEU . 44.3 m-85 -101.18 99.08 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.864 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -86.63 98.27 11.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.883 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 55' ' ' ILE . 11.7 mt -84.3 130.49 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.247 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.523 HG23 ' HA3' ' A' ' 75' ' ' GLY . 71.4 t -103.57 102.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.834 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.5 138.65 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 63.21 111.001 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.92 151.13 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 64.22 110.949 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.19 156.26 22.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.664 -0.779 . . . . 54.33 112.625 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.45 50.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.261 . . . . 70.31 111.609 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.87 -69.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 65.33 112.086 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.425 ' HA2' ' O1B' ' A' ' 201' ' ' GNP . . . -75.5 -5.9 79.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 62.32 112.452 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.562 HG12 ' CB ' ' A' ' 89' ' ' SER . 26.9 m -54.67 -29.99 21.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.752 0.31 . . . . 71.22 111.42 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.84 26.85 11.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.549 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -65.5 -23.05 66.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 52.32 111.106 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -80.38 -42.83 22.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 40.34 111.064 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -53.09 -46.48 68.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD22 HG12 ' A' ' 152' ' ' VAL . 67.9 mt -60.74 -34.65 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.41 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.879 HG23 HG21 ' A' ' 55' ' ' ILE . 74.0 m -70.33 -50.62 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.835 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 27' ' ' HIS . 44.7 mm -60.95 -42.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 62.21 111.01 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -57.59 -44.21 85.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 61.04 110.764 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.14 -59.11 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 52.33 110.608 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.51 -59.09 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 64.04 110.924 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -90.25 -90.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 72.43 110.758 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.55 -34.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.723 0.297 . . . . 74.34 111.22 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.585 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -81.8 176.16 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.021 0.438 . . . . 71.11 111.482 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 29' ' ' VAL . 47.2 t80 -70.29 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 72.32 111.124 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -175.96 130.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.763 0.316 . . . . 61.43 110.746 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 177.28 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 64.33 110.611 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.65 66.08 8.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.963 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.08 133.2 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.805 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 145.91 98.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 51.34 110.594 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -25.25 19.42 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.494 2.129 . . . . 71.1 112.49 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -92.37 -35.57 13.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 30.12 111.087 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD13 ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -59.03 148.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 51.31 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' N ' HD13 ' A' ' 36' ' ' ILE . 3.4 mm-40 -79.58 -177.97 6.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.945 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.99 47.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.33 110.846 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 p -105.66 125.11 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.43 110.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -144.82 134.42 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.678 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -115.16 123.35 48.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -121.36 148.75 43.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.43 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -101.34 126.09 48.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.64 174.71 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 64.04 111.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.27 100.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 62.15 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 160' ' ' VAL . 43.8 mt -119.62 131.6 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 53.52 111.082 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.22 34.31 8.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.52 31.81 67.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 44.41 112.524 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.49 109.15 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.54 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -59.69 124.01 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.859 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.0 m -147.44 152.19 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.43 143.61 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.807 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 4' ' ' TYR . 72.8 mt -117.52 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 53.13 110.767 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.82 97.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.999 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 20' ' ' THR . 43.1 mm -79.04 122.04 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 65.35 110.988 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.2 tm? -114.43 101.41 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.899 -0.591 . . . . 72.42 110.847 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.71 108.76 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.781 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 71' ' ' TYR . 12.0 p -75.22 171.49 14.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.844 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 155.68 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.182 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -110.61 -24.52 5.55 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.375 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -102.49 -31.86 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 74.11 110.843 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.44 179.7 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.874 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -103.43 -79.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 64.1 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER 52.52 35.74 18.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.253 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 p -58.16 -36.41 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 62.51 110.717 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.34 -52.28 65.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.509 . . . . 62.33 110.748 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.631 ' HE2' ' H4 ' ' A' ' 203' ' ' KOB . 14.3 mtp -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.821 -0.627 . . . . 73.13 110.855 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.57 -25.61 11.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.296 -0.411 . . . . 71.44 110.984 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.29 -36.78 39.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 73.52 111.11 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.711 ' OE1' HG21 ' A' ' 74' ' ' THR . 0.0 OUTLIER -57.16 -41.93 80.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.374 . . . . 75.25 110.76 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE2' HG22 ' A' ' 58' ' ' THR . 17.2 m-85 -52.86 -50.54 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 74.15 111.606 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.69 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -55.96 -34.95 66.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.421 . . . . 72.51 110.394 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 33.3 mtm180 -81.44 -17.73 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 61.34 111.492 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.711 HG21 ' OE1' ' A' ' 70' ' ' GLN . 81.8 p -98.32 -11.02 22.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.698 0.285 . . . . 75.31 110.98 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.73 155.06 19.32 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.52 -0.848 . . . . 54.13 113.692 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -96.33 -18.93 19.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.797 0.332 . . . . 74.45 110.566 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.3 -165.83 12.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.967 -0.635 . . . . 61.41 112.12 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 100' ' ' ILE . 89.2 m-85 -155.23 140.42 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 74.01 111.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.02 121.9 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 73.54 110.756 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.863 ' HB3' HD12 ' A' ' 93' ' ' ILE . 13.4 m -97.29 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.2 t -102.81 112.96 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' HD1' HD11 ' A' ' 113' ' ' LEU . 5.9 p90 -125.6 144.16 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.614 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HB1' ' HD3' ' A' ' 117' ' ' LYS . . . -87.33 123.64 32.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.312 -0.403 . . . . 73.53 110.947 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -59.92 -31.17 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.855 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 1.3 t30 -71.39 -29.15 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 63.1 110.812 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -106.5 109.27 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.793 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -67.44 -25.36 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.174 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -41.54 97.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.444 -0.344 . . . . 64.14 110.678 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.562 ' CB ' HG12 ' A' ' 14' ' ' VAL . 83.6 p -61.32 -28.9 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.12 -45.09 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.15 110.895 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.44 -29.89 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 53.45 111.082 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -67.09 -32.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 60.11 110.909 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 80' ' ' CYS . 22.7 mm -61.84 -28.94 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 41.04 110.922 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.62 -55.36 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.03 110.695 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -67.07 -28.46 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 55.32 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.3 m-85 -63.45 -49.66 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 64.52 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -57.1 -35.96 70.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.82 81.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -37.25 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.837 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 78' ' ' PHE . 47.4 mt -69.46 -44.05 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.54 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -30.46 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 75.34 110.84 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -58.94 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 65.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 72' ' ' MET . 39.4 t -58.69 -58.2 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 72.24 110.876 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -59.24 -24.92 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.684 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.5 t0 62.06 37.42 14.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.802 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -164.14 157.45 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 44.2 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -85.79 -42.56 14.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.654 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.86 92.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 65.14 110.644 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.3 t -128.5 136.39 29.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 54.35 110.782 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 109' ' ' VAL . 63.2 Cg_endo -74.73 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.902 2.402 . . . . 73.04 112.471 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -145.83 168.15 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.11 110.886 179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.633 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.1 t -143.19 151.08 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 70.21 111.071 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -110.43 127.28 55.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.964 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.674 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.0 t -120.47 137.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.04 111.082 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.57 78.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.717 -0.754 . . . . 65.23 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 19' ' ' LEU . 6.3 t-20 -52.71 170.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.823 0.344 . . . . 74.31 110.966 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 17.1 mtpt 61.98 49.7 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.896 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.8 t -87.47 5.84 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 52.14 111.411 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -110.05 -17.91 13.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.708 0.289 . . . . 73.04 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.4 mm? -53.62 173.01 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.403 -0.362 . . . . 74.01 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.35 41.27 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 61.23 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -166.78 64.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.983 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.781 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -72.03 84.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 55.34 111.013 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.2 p -60.52 -28.14 68.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 55.52 110.724 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.37 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.64 165.45 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.0 m -57.5 -25.19 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 75.11 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -62.47 -56.51 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 63.51 110.934 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.26 -39.14 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.04 111.071 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -66.92 -37.12 83.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.266 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -29.91 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.054 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.18 -45.5 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.395 . . . . 72.13 111.027 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.459 HD22 ' CZ ' ' A' ' 137' ' ' TYR . 20.4 mt -74.09 -48.79 27.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.168 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -56.77 -39.13 73.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 63.33 111.063 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -73.69 -44.25 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 64.4 110.856 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -64.08 -37.21 86.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.805 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-85 -84.33 -21.55 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.072 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.38 18.15 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 60.31 112.591 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.749 HG21 ' HG2' ' A' ' 111' ' ' MET . 8.0 pt -106.29 156.77 36.34 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.334 . . . . 75.24 111.46 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.633 ' HG2' HG13 ' A' ' 112' ' ' VAL . 62.1 Cg_endo -73.71 148.84 42.27 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.616 2.211 . . . . 73.51 112.206 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.433 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 13.9 t80 -124.76 124.78 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 74.42 111.015 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.78 HD11 HG21 ' A' ' 158' ' ' THR . 4.3 mp -125.11 155.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.829 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -115.67 129.76 56.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 72.01 110.856 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 151' ' ' GLY . 11.7 p -143.97 165.64 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 70.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.73 123.75 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 72.5 110.735 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.895 ' HB3' ' O6 ' ' A' ' 201' ' ' GNP . . . -74.03 -25.47 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 60.24 111.263 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -77.8 -51.28 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 72.22 111.111 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 p -88.08 -20.35 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 34.2 111.436 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 63.34 61.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 64.22 110.596 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -119.76 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 71.45 110.95 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' THR . . . 70.61 8.84 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.847 -0.692 . . . . 71.22 112.906 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.624 HG12 HD22 ' A' ' 19' ' ' LEU . 20.8 m -57.42 -40.4 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 65.1 111.162 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.4 mt-10 -73.69 -31.69 63.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.827 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.01 -34.77 76.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.836 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.674 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -73.88 -40.44 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 51.31 111.1 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -69.03 -49.6 56.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 m-85 -56.64 -28.8 61.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.45 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 142' ' ' ILE . 99.0 m -59.01 -43.27 91.52 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.274 -0.421 . . . . 43.23 110.612 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.614 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.5 tp -58.94 -44.23 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.515 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 46' ' ' ILE . 48.6 t -51.29 -46.95 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.198 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -31.97 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.8 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.93 -51.71 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.111 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 110' ' ' PRO . 32.0 mt -56.74 -45.38 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.349 -0.387 . . . . 72.42 111.01 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -26.42 66.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.167 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -95.49 26.13 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 61.42 111.198 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 73.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.895 ' O6 ' ' HB3' ' A' ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.299 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 302' ' ' HOH . . . . . 0.473 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 71.23 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.82 149.78 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.822 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.83 110.45 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.53 110.842 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -97.88 116.02 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -90.7 92.17 8.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 73.4 110.763 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.694 HD12 HD13 ' A' ' 55' ' ' ILE . 20.2 mt -91.97 134.55 34.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.152 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.6 t -109.67 105.3 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.88 140.26 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 71.33 110.87 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.2 m -141.02 137.6 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 55.14 111.206 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.5 154.55 19.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.408 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -56.49 175.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 74.13 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 -44.41 92.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 61.4 112.422 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.44 54.18 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.423 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.2 m -117.07 -39.39 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 60.3 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.25 47.31 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 63.34 112.695 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 302' ' ' HOH . 15.0 pttt -73.62 -33.24 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 65.33 110.731 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 p -71.36 -31.9 67.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 72.01 111.011 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.78 -63.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.258 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.51 -24.71 33.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 54.04 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.1 m -67.1 -43.88 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 71.21 111.186 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.543 HD13 ' CG2' ' A' ' 29' ' ' VAL . 1.5 mp -71.65 -30.4 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 75.32 110.924 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HB2' HG11 ' A' ' 152' ' ' VAL . 69.8 mm-40 -56.22 -39.96 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 64.12 110.884 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.8 -35.44 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 75.11 110.963 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.17 -69.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 60.34 111.406 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 59.2 mt-30 -96.0 -97.95 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.063 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 2.6 m-20 165.41 43.78 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.866 0.365 . . . . 74.44 110.74 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -149.5 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.365 . . . . 61.52 111.071 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 3.1 t80 -98.32 133.58 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.54 . . . . 74.42 110.853 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.543 ' CG2' HD13 ' A' ' 21' ' ' ILE . 22.6 t -59.94 146.32 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.027 0.442 . . . . 72.45 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.9 t70 178.36 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.72 -0.673 . . . . 72.12 110.455 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -105.04 93.48 4.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 74.03 110.718 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -146.53 164.52 32.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.853 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.4 128.3 25.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.11 110.884 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.77 -25.37 23.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.442 2.094 . . . . 74.33 112.312 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -28.48 63.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 63.13 111.018 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 38' ' ' ASP . 1.4 pt -108.28 152.14 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 74.41 111.249 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -22.4 37.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.776 -0.647 . . . . 73.14 111.36 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 36' ' ' ILE . 2.3 t0 61.59 41.18 12.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.954 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 p -94.27 163.26 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.826 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.12 149.64 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.855 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.74 117.65 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.857 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -113.69 150.09 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.981 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.36 135.71 41.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.41 110.843 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 34.3 m -147.41 174.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.155 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.1 106.54 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.991 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.823 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.0 mt -127.15 124.3 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.4 111.138 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.68 39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 55.11 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.03 28.67 61.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 72.31 112.538 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -146.27 104.44 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 75.54 110.882 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.7 m -58.96 128.86 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.829 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.9 m -145.22 152.11 39.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 62.03 110.992 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.52 136.83 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 71.13 110.876 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -106.69 79.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 75.33 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.56 93.58 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 HD12 ' A' ' 6' ' ' LEU . 17.3 mm -84.25 110.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.143 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 57' ' ' ASP . 1.1 tt -83.52 123.75 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 64.03 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' N ' HD23 ' A' ' 56' ' ' LEU . 29.6 t70 -100.81 100.04 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.907 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -85.1 -175.8 5.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.47 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.13 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.8 -41.49 8.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 73.33 112.472 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -160.04 86.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.34 110.924 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.34 -173.93 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.869 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.75 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.42 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' CD1' ' CG ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -93.2 -77.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.848 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.54 -62.84 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.539 . . . . 72.51 111.238 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.03 3.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 71.41 111.358 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.512 ' HE2' ' N3 ' ' A' ' 203' ' ' KOB . 1.0 OUTLIER -83.8 -28.14 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.924 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.8 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.724 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -76.7 -33.22 58.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 63.45 110.614 179.684 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.816 ' O ' HG23 ' A' ' 74' ' ' THR . 2.4 tp60 -68.87 -39.39 79.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 74.03 110.702 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -58.42 -36.73 74.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.741 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.807 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -63.97 -48.22 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 62.14 110.075 179.388 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 47.1 mtm180 -67.89 -12.0 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.616 . . . . 73.33 111.191 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 70' ' ' GLN . 69.6 p -99.25 -11.77 20.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.67 0.272 . . . . 73.24 110.93 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.661 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -110.36 148.57 17.54 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.605 -0.807 . . . . 72.0 113.254 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 4.1 mt-10 -89.89 -21.67 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.21 110.633 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.64 -174.3 13.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.039 -0.6 . . . . 75.23 112.138 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 100' ' ' ILE . 94.6 m-85 -150.55 134.85 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.12 111.021 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.41 108.83 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.945 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.1 m -88.82 128.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.684 ' O ' HD11 ' A' ' 93' ' ' ILE . 32.7 m -116.15 133.85 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 55.34 111.056 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.99 130.22 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.21 123.75 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.42 111.103 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.8 pt -60.17 -31.37 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.995 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -71.35 -25.91 62.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 70.01 110.928 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -114.62 99.69 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 73.35 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 125' ' ' VAL . 3.0 m -58.41 -27.71 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.004 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -57.49 -45.11 85.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.842 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.7 m -57.65 -36.88 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 55.44 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.94 -36.97 78.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.821 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.81 -28.89 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.35 110.952 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -70.69 -32.84 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.995 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 21.4 mm -61.07 -29.65 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.756 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.86 -55.43 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 65.55 110.61 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.46 -28.81 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.997 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.07 -41.66 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 70.32 110.836 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -63.57 -36.55 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.11 110.934 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.25 -41.21 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.009 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -60.8 -37.64 82.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 110.892 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 78' ' ' PHE . 52.2 mt -70.04 -49.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 71.03 111.09 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -35.46 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 75.1 110.949 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -58.02 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.855 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 72' ' ' MET . 54.5 t -58.05 -59.18 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.023 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -25.71 67.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.42 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t70 63.58 43.5 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 63.42 110.803 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -174.3 154.29 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.94 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -34.49 29.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 54.14 110.756 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -75.43 98.48 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 60.31 110.716 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 110' ' ' PRO . 58.9 t -139.57 136.9 18.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.887 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.521 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.2 Cg_endo -71.89 101.13 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.784 2.322 . . . . 54.43 112.128 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.627 ' HG3' HG21 ' A' ' 139' ' ' ILE . 15.5 ptp -145.39 168.73 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -145.31 145.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 75.05 111.058 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' A' ' 134' ' ' ALA . 8.0 tp -108.9 107.85 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 62.45 110.928 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.697 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.5 t -100.34 150.5 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 64.0 111.182 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.99 100.2 1.02 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 73.23 112.429 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -76.71 168.57 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 74.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mttp 60.56 64.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.4 110.971 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.26 -15.11 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 62.42 111.164 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -88.85 -25.91 21.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.299 . . . . 71.45 111.134 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 120' ' ' LEU . 21.1 mt -53.02 150.91 5.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 50.21 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.1 31.04 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.154 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.02 70.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.11 111.114 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.802 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -82.99 84.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.8 p -56.51 -34.81 67.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 87' ' ' THR . 99.5 t -110.47 124.11 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.5 162.4 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 71.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.6 t -70.33 -38.47 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 111.009 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -55.75 -46.09 77.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -63.31 -38.32 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.8 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.096 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.427 ' HG2' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -68.61 -31.02 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.03 110.871 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.21 -43.68 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.74 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.568 HD11 ' OH ' ' A' ' 137' ' ' TYR . 15.6 tp -72.73 -48.72 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.43 110.706 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.433 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.11 -39.91 76.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 64.33 111.079 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -64.84 -29.82 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.941 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -72.75 -35.29 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.584 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.568 ' OH ' HD11 ' A' ' 133' ' ' LEU . 20.2 m-85 -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 73.4 111.019 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.9 17.6 65.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.717 -0.754 . . . . 60.22 112.544 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.627 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.2 pt -112.52 156.86 41.66 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 72.1 111.399 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.7 Cg_endo -70.04 157.04 61.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.608 2.205 . . . . 72.35 112.436 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.427 ' CD2' ' HG2' ' A' ' 131' ' ' GLN . 80.8 t80 -129.19 116.88 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 75.51 110.548 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 158' ' ' THR . 2.9 mp -119.94 156.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.195 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.439 ' N ' HG22 ' A' ' 142' ' ' ILE . 15.0 mt-10 -114.41 134.05 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.868 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.7 p -144.14 166.86 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 73.25 111.05 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 p -137.72 113.53 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.845 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.79 -23.7 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.402 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.135 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.72 -20.0 61.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 63.24 111.292 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 66.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 73.3 110.787 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.85 125.2 50.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 65.31 110.829 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.55 23.35 27.69 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.697 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.417 HG11 ' HB2' ' A' ' 22' ' ' GLN . 23.9 t -57.73 -55.9 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 65.34 111.052 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.7 -25.95 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 70.32 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.65 -50.6 72.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 71.44 110.851 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -59.21 -47.29 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.45 110.923 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE1' HD12 ' A' ' 55' ' ' ILE . 26.3 m-85 -58.04 -50.48 73.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.779 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -54.05 -33.98 58.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 63.34 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.942 HG21 HD11 ' A' ' 142' ' ' ILE . 5.0 m -58.04 -42.84 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -53.95 -43.52 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.924 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 46' ' ' ILE . 38.7 t -53.88 -55.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 70.51 111.145 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -52.77 -40.44 63.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.084 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.41 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 110' ' ' PRO . 27.4 mt -65.32 -44.62 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.31 111.196 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -49.91 56.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.354 -0.384 . . . . 74.42 111.084 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.44 -27.34 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.942 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 74.32 110.815 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' GNP . . . . . 0.419 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' KOB . . . . . 1.388 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 302' ' ' HOH . . . . . 0.424 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 50' ' ' THR . 7.2 tpp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 70.24 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -125.93 144.21 50.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 72.13 110.793 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.82 110.48 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 71.11 110.825 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 21.6 m-85 -101.87 107.62 18.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 1.2 mmtm -89.18 95.4 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 70.44 110.817 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 55' ' ' ILE . 62.7 mt -90.01 110.2 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.12 111.045 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.85 104.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.14 111.047 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.95 119.71 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 79' ' ' LEU . 29.6 m -130.58 150.25 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 71.43 111.046 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.42 -73.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.635 -0.793 . . . . 34.41 112.549 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -179.46 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 73.32 111.074 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.81 -29.07 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 73.1 112.449 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.89 32.37 2.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 42.15 112.471 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.44 -26.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 51.2 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.11 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 63.24 112.635 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -60.76 -43.96 97.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 75.25 110.736 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -63.48 -43.0 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.77 -43.18 94.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 70.23 111.148 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD2' HG13 ' A' ' 152' ' ' VAL . 12.4 mt -68.61 -29.09 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HG21 ' A' ' 55' ' ' ILE . 90.6 m -67.4 -56.6 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.967 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 ' CE1' ' A' ' 40' ' ' TYR . 44.8 mm -54.17 -29.75 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 44.32 111.277 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.7 ' CB ' HG11 ' A' ' 152' ' ' VAL . 38.8 mm-40 -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.946 0.403 . . . . 64.44 110.593 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -67.33 -17.22 64.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.544 . . . . 71.44 111.165 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 42.0 mm -90.81 -69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 73.24 111.79 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.441 -0.345 . . . . 64.45 111.688 -179.167 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 10.9 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.722 0.296 . . . . 72.01 110.806 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' A' ' 52' ' ' LEU . 41.3 ptt180 -108.75 127.42 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 74.31 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.66 145.97 50.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.32 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -92.25 131.98 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 61.22 110.727 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.716 HG21 HD11 ' A' ' 53' ' ' LEU . 21.9 m -145.92 179.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 40.53 111.226 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -126.7 100.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.52 111.048 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.754 ' CD1' HG21 ' A' ' 160' ' ' VAL . 30.3 mt -116.95 136.98 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 65.03 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.21 28.25 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.921 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.72 32.02 77.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 42.5 112.551 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -146.08 106.39 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.53 111.002 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' SD ' ' A' ' 1' ' ' MET . 85.1 m -61.76 125.66 24.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 55.04 110.739 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 96.5 m -148.83 163.65 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 43.32 111.074 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -87.09 148.16 25.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 75.55 110.596 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' VAL . 65.2 mt -121.98 81.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 75.11 111.108 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 98.31 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.821 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.681 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.1 mm -89.03 112.01 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.17 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.3 OUTLIER -97.6 118.99 35.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 72.21 110.53 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.6 97.3 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.643 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.494 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.9 p -75.2 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.935 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 53.51 110.996 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.484 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.0 mmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.016 0.436 . . . . 74.35 110.386 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -59.76 4.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.772 -0.649 . . . . 54.51 111.476 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -49.46 -27.14 3.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 64.33 111.63 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.729 ' O ' HG23 ' A' ' 74' ' ' THR . 6.7 tp60 -81.65 -38.37 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.416 -0.356 . . . . 75.02 111.267 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 67' ' ' MET . 21.4 m-85 -68.33 -36.17 78.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 74.33 111.548 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -66.54 -38.17 86.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.012 0.434 . . . . 64.44 110.266 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -79.06 -14.79 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 72.31 111.492 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' GLN . 76.0 p -100.6 -21.12 15.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.788 0.328 . . . . 72.3 110.819 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -90.98 149.72 20.1 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.831 -0.7 . . . . 61.52 113.172 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.03 -18.11 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 75.11 110.789 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.93 164.63 32.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.02 -0.61 . . . . 74.14 112.166 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 100' ' ' ILE . 15.4 m-85 -128.28 142.92 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 72.35 111.17 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.113 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -115.04 117.16 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 72.43 110.814 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.801 ' HB3' HD12 ' A' ' 93' ' ' ILE . 85.3 m -95.74 104.16 16.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 64.42 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.82 132.9 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.91 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HZ ' ' HB2' ' A' ' 130' ' ' ALA . 31.7 p90 -144.85 152.39 40.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.796 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.7 123.78 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 72.11 111.024 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.9 pt -57.88 -30.3 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 64.35 110.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.53 -16.77 62.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.851 -0.613 . . . . 73.4 111.076 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.49 104.38 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 74.43 111.007 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 m -65.42 -25.2 67.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 62.55 110.939 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -68.03 -41.91 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 53.12 110.68 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -58.89 -37.45 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.81 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.433 ' CE1' HD22 ' A' ' 133' ' ' LEU . 87.7 t80 -61.04 -28.08 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 73.32 110.77 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.7 -37.34 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 62.31 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.801 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.3 mm -59.66 -27.38 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 70.31 110.819 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.61 -55.36 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.14 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -30.03 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.445 -0.343 . . . . 63.02 111.116 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -63.28 -43.78 96.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 73.34 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.408 HH21 HD11 ' A' ' 139' ' ' ILE . 25.5 ttm105 -61.3 -38.39 86.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 74.24 111.065 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.18 -29.03 44.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.046 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -43.27 45.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.749 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 78' ' ' PHE . 61.9 mt -59.61 -50.45 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.982 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 107' ' ' ASP . 14.2 mtmt -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.01 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 64.03 111.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 72' ' ' MET . 47.6 t -58.39 -52.14 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 73.44 111.051 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -22.46 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 71.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.0 t0 64.38 47.93 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 51.55 110.736 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.27 136.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 52.42 110.737 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 p-10 -70.78 -37.59 73.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.054 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -93.38 91.09 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.183 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.9 m -115.32 153.36 47.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.879 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.6 Cg_endo -70.83 105.99 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.492 2.128 . . . . 75.4 112.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.63 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.8 ptp -154.29 170.74 20.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 55.13 110.926 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -140.54 149.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 42.55 111.139 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.0 tp -113.46 103.25 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.83 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.729 HG21 ' HB1' ' A' ' 155' ' ' ALA . 20.1 t -102.0 145.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.219 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.32 90.01 0.54 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.418 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.72 168.92 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.4 111.027 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt 61.96 67.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 64.4 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.7 t -104.47 -14.98 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 44.14 111.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -85.42 -24.55 27.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 55.43 111.151 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.86 165.38 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.35 . . . . 75.3 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.46 26.21 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 32.32 111.485 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -147.02 65.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 70.24 110.986 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.743 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.2 ptp85 -79.35 124.89 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 74.25 111.264 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.2 p -94.79 -41.32 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 75.43 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.03 94.17 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.022 -0.536 . . . . 73.43 110.666 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.86 157.93 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 74.52 111.036 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 p -56.84 -29.85 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 62.33 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -59.55 -43.14 93.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -34.29 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.999 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.466 ' HB2' ' HZ ' ' A' ' 82' ' ' PHE . . . -79.57 -36.53 38.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 71.21 111.085 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.59 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.88 -29.14 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.843 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.433 HD22 ' CE1' ' A' ' 90' ' ' PHE . 15.0 tp -80.45 -50.42 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.894 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.487 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.8 -44.75 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 53.21 111.114 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -31.28 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.12 110.566 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -74.87 -27.91 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.603 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.4 -17.26 39.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 61.44 111.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.42 15.64 61.74 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.386 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.63 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.7 pt -112.6 156.85 41.76 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.763 0.316 . . . . 64.42 111.515 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HG2' HG13 ' A' ' 112' ' ' VAL . 59.8 Cg_endo -73.06 153.62 52.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.586 2.19 . . . . 73.32 112.327 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -123.56 117.92 26.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.692 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.851 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.16 158.15 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.107 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.462 ' N ' HG22 ' A' ' 142' ' ' ILE . 5.4 mt-10 -123.84 131.51 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.828 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 64.15 111.063 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.416 ' HG ' ' HG1' ' A' ' 148' ' ' THR . 2.1 p -142.29 114.54 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.52 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.81 -20.75 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.53 111.46 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -85.91 -66.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.341 . . . . 60.23 111.236 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.416 ' HG1' ' HG ' ' A' ' 145' ' ' SER . 5.3 p -70.89 -20.62 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.264 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 64.66 67.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 71.41 110.746 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.66 121.52 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.02 110.974 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 144' ' ' THR . . . 53.3 27.32 31.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 55.33 112.794 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 19' ' ' LEU . 41.1 t -56.26 -55.27 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 64.31 111.108 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 23' ' ' LEU . 59.8 mt-10 -66.79 -27.88 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.3 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -36.44 73.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 71.24 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -71.43 -48.39 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.035 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.666 ' CB ' HD13 ' A' ' 23' ' ' LEU . 47.7 m-85 -61.19 -48.44 81.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.786 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.1 m-85 -50.48 -31.27 14.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 64.25 110.95 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 142' ' ' ILE . 6.4 m -60.4 -39.18 86.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.109 -0.496 . . . . 63.02 110.86 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.113 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.09 -48.01 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 75.23 110.953 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.754 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.8 t -57.89 -38.87 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 63.14 111.051 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -69.82 -30.05 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.85 -50.2 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 52.42 110.838 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 110' ' ' PRO . 20.0 mt -62.17 -45.06 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.179 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -57.54 -44.56 85.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.978 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -79.17 -21.36 46.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.03 111.179 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.15 -0.929 . . . . 74.31 110.868 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.643 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.807 0.337 . . . . 52.34 111.155 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 149.8 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.701 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.34 109.53 21.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 41.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -97.01 129.32 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.715 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -106.2 93.55 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.989 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 159' ' ' LEU . 27.1 mt -100.56 132.04 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 70.3 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 56' ' ' LEU . 15.4 m -109.14 137.38 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.24 111.226 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 16' ' ' LYS . 22.0 t -115.71 123.45 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.987 -0.551 . . . . 65.45 111.2 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.6 m -104.16 166.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 75.25 110.979 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.28 169.08 41.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.652 -0.785 . . . . 74.11 112.541 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.69 27.68 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 65.04 111.247 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.31 60.27 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.696 -0.764 . . . . 62.53 112.801 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.89 31.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 64.4 112.214 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 m -106.67 -22.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 62.21 111.241 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.24 11.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.671 -0.776 . . . . 65.15 112.398 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HB2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -63.35 -32.34 73.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 71.23 110.83 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.4 p -76.32 -43.76 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.22 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -55.51 -34.77 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 21.32 111.187 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.2 -36.22 81.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 55.52 110.767 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.671 HG23 ' CG2' ' A' ' 55' ' ' ILE . 90.0 m -70.51 -55.62 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 70.24 111.057 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.16 -30.44 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.371 -0.377 . . . . 72.31 110.958 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -59.94 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 74.24 110.625 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HG3' ' A' ' 153' ' ' GLU . 58.0 tp -76.68 -11.38 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 73.13 111.285 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -103.22 -72.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.713 0.292 . . . . 73.41 111.435 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 75.33 111.516 -179.611 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.773 0.32 . . . . 72.33 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HB2' HD12 ' A' ' 52' ' ' LEU . 26.4 ptt-85 -145.66 116.02 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.23 110.941 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -107.42 131.3 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 73.53 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' A' ' 52' ' ' LEU . 4.7 tt0 -88.13 119.69 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.803 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.65 -179.29 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.242 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.2 p -128.0 102.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.147 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 160' ' ' VAL . 20.8 mt -111.71 135.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.086 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.99 31.35 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.51 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.7 84.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 65.12 112.5 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -144.63 108.4 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 75.23 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -60.5 120.03 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.785 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.8 m -144.65 149.45 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.925 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.34 145.52 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.833 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 46' ' ' ILE . 29.4 mt -120.01 84.06 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.811 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.7 90.6 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 20' ' ' THR . 24.3 mm -78.38 114.82 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.778 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.909 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -98.27 121.57 40.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.026 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.63 101.87 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.723 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.423 ' CG2' HD21 ' A' ' 56' ' ' LEU . 14.6 p -79.6 -173.88 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.056 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 73.2 111.157 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.446 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 mmt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.979 0.419 . . . . 72.53 110.674 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -55.92 -56.91 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 73.32 111.361 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.25 -30.15 2.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.96 0.41 . . . . 72.25 110.752 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 74' ' ' THR . 6.1 tp60 -79.71 -44.79 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 71.34 110.172 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 56' ' ' LEU . 37.7 m-85 -56.44 -30.84 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.53 . . . . 73.13 111.111 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -74.0 -38.84 63.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 73.35 109.823 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -81.48 -21.01 38.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.641 -0.709 . . . . 72.14 111.225 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -98.0 0.49 46.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.558 -0.292 . . . . 54.22 110.73 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -114.82 150.17 18.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.688 -0.768 . . . . 51.04 113.289 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -19.3 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 75.12 110.556 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -147.26 178.28 24.99 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.993 -0.622 . . . . 34.13 112.282 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 72' ' ' MET . 45.9 m-85 -143.01 133.31 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.24 111.067 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.89 123.61 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 62.21 110.756 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.875 ' HB3' HD12 ' A' ' 93' ' ' ILE . 91.1 m -96.86 116.32 28.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.55 110.928 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.45 117.22 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.4 111.185 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.89 141.22 47.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.566 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.25 123.59 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 70.22 111.098 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.4 pt -59.32 -21.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.3 111.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.8 -34.9 51.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 74.32 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -99.37 114.23 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.3 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -72.25 -28.1 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 70.51 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -61.13 -39.44 90.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.372 -0.376 . . . . 74.24 110.553 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.1 m -63.24 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.707 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -62.84 -43.26 99.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 65.55 110.746 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.05 -27.5 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 50.35 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -69.11 -34.7 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 75.21 110.923 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.875 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.0 mm -60.69 -25.75 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.4 110.859 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -77.54 -55.37 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.791 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -28.27 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 73.34 111.039 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.78 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 73.21 110.948 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.82 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.685 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.0 -31.52 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 40.22 110.98 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -39.28 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HE1' ' A' ' 111' ' ' MET . 50.7 mt -69.96 -45.79 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.12 111.051 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -55.25 -27.56 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.945 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -74.91 -57.82 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.896 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.17 -53.61 46.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -27.97 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.972 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t70 63.51 47.17 3.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -173.27 141.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -74.76 -35.87 62.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.54 85.68 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 153.35 51.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 61.3 111.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.27 108.99 2.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.589 2.193 . . . . 73.53 112.363 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 139' ' ' ILE . 6.0 ptp -160.41 170.0 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.811 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.8 t -147.11 149.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 71.22 111.373 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 93' ' ' ILE . 5.5 tp -109.15 102.89 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 73.21 110.576 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.74 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.1 t -92.45 144.82 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.296 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.21 88.57 0.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.825 -0.702 . . . . 73.01 112.375 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.615 HD21 ' HB2' ' A' ' 146' ' ' ALA . 7.3 t-20 -67.04 173.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.11 111.022 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 84' ' ' ILE . 8.1 mptt 58.88 61.53 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.944 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.7 -0.05 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.34 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -102.59 -28.89 11.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.768 0.318 . . . . 63.05 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -54.9 150.36 10.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.032 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.26 35.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 52.03 111.274 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.13 71.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.3 111.072 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -94.98 109.88 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.761 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.9 p -84.0 -56.02 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.664 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.6 t -79.78 105.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.905 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.48 160.85 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.962 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.7 m -63.83 -38.56 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.41 111.022 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.26 -46.54 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.961 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -62.72 -41.6 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.957 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.43 81.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.183 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -30.23 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.022 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.75 -35.83 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 65.02 110.965 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -81.28 -51.5 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.52 111.025 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.39 69.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 61.04 111.124 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.66 -31.67 70.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 54.34 110.801 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -72.1 -40.6 68.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -67.56 -22.29 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 74.4 111.005 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.11 17.62 64.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.02 112.43 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.598 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -110.42 157.02 39.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 64.42 111.452 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.3 Cg_endo -70.78 151.58 63.38 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 54.02 112.234 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -123.19 118.13 26.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.955 HD11 HG21 ' A' ' 158' ' ' THR . 5.0 mp -120.95 143.97 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.908 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -112.79 132.17 55.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -144.56 -178.18 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 74.52 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 65.32 110.947 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.615 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -65.66 -20.63 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 43.21 111.437 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 70.23 111.244 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 p -70.96 -23.59 62.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 72.13 111.23 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.69 66.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 73.05 110.717 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.18 121.64 41.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 51.23 110.9 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.51 57.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.763 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 37.3 t -56.4 -55.15 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.917 0.389 . . . . 72.41 111.053 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.0 mp0 -61.47 -28.91 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 74.03 110.794 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.76 63.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.74 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -54.2 -37.51 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.401 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.86 -50.27 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 65.23 111.009 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 21.1 m-85 -56.12 -28.55 58.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 70.42 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.955 HG21 HD11 ' A' ' 142' ' ' ILE . 1.9 m -58.37 -43.04 88.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 73.12 110.809 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.58 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.0 tp -60.34 -47.13 87.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 46' ' ' ILE . 38.8 t -50.57 -46.59 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 54.33 111.154 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -37.58 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.736 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.99 -48.34 71.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.773 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.19 -49.98 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.094 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.68 -45.1 66.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.953 -0.567 . . . . 72.41 111.212 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.56 -24.47 42.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 75.14 111.188 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.238 -0.887 . . . . 71.3 110.875 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.656 ' SD ' HG22 ' A' ' 50' ' ' THR . 5.8 tpp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.964 0.411 . . . . 70.12 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.16 149.95 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 72.11 110.462 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.28 120.36 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -108.29 114.62 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.964 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.468 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -88.16 99.7 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.94 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 159' ' ' LEU . 9.6 mt -87.9 112.24 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.806 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.19 102.04 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -84.13 137.39 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.975 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -148.34 152.57 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 70.1 110.983 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -160.27 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 45.53 112.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . 176.79 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.681 0.277 . . . . 74.14 111.356 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.35 54.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.789 -0.72 . . . . 62.42 112.196 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.43 -22.82 0.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.837 -0.697 . . . . 34.2 112.61 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.8 m -50.31 -26.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.751 0.31 . . . . 72.12 111.44 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 22.03 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 62.22 112.703 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -39.36 87.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 75.4 110.7 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.51 110.808 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -59.26 -59.91 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 31.5 111.368 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.751 HD22 HG13 ' A' ' 152' ' ' VAL . 58.7 mt -57.42 -29.27 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.055 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.687 HG23 HG21 ' A' ' 55' ' ' ILE . 87.5 m -63.18 -45.9 89.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 43.23 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.575 HD11 ' OH ' ' A' ' 40' ' ' TYR . 41.2 mm -71.39 -33.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.171 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -58.42 -41.94 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -69.22 -32.25 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.12 111.07 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -82.28 -69.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.14 111.431 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 116.488 -0.323 . . . . 62.15 110.935 -179.812 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' OH ' HD11 ' A' ' 21' ' ' ILE . 7.8 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 73.52 110.921 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -135.63 131.28 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.059 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -145.61 146.59 31.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.88 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.23 137.25 34.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 75.32 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 53' ' ' LEU . 27.3 m -145.63 176.14 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 73.51 111.116 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.94 101.52 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.161 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CD1' HG21 ' A' ' 160' ' ' VAL . 23.6 mt -127.5 138.18 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.068 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.56 30.31 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.911 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.07 30.53 73.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 44.43 112.51 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -141.67 98.13 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 71.15 110.964 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 ' SD ' ' A' ' 1' ' ' MET . 87.8 m -60.87 120.09 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.808 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.1 m -145.46 155.33 43.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.036 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -78.42 148.63 33.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.779 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 44' ' ' VAL . 24.9 mt -114.3 89.27 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.83 96.19 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.782 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.687 HG21 HG23 ' A' ' 20' ' ' THR . 22.9 mm -80.52 114.77 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 60.22 111.082 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.0 tm? -103.86 106.3 16.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.692 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.7 114.05 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.902 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 p -78.75 -173.75 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 53.34 110.805 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.215 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.7 ptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 75.23 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 36.7 ttp85 -52.38 -42.66 64.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.718 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -66.02 -39.22 90.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.522 . . . . 75.5 110.385 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.838 ' O ' HG23 ' A' ' 74' ' ' THR . 10.8 tt0 -61.14 -39.39 89.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.31 110.638 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' CD1' HD11 ' A' ' 56' ' ' LEU . 44.6 m-85 -57.83 -33.72 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.085 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.88 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -69.68 -40.1 76.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.046 0.451 . . . . 73.11 109.87 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 44.3 mtm-85 -81.28 -12.99 58.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.822 -0.626 . . . . 72.54 111.271 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.1 p -97.81 -19.67 18.01 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.843 0.354 . . . . 74.34 110.718 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -95.93 158.4 21.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.689 -0.767 . . . . 34.13 113.408 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 163' ' ' ILE . 2.3 mt-10 -101.56 -15.47 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 45.22 110.742 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.79 163.47 29.36 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.91 -0.662 . . . . 64.44 112.376 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 4.5 m-85 -130.93 143.31 50.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 72.52 111.214 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.039 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -126.86 117.7 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 63.42 110.887 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.06 102.83 14.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' O ' HG21 ' A' ' 14' ' ' VAL . 8.7 p -111.74 129.48 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.54 111.167 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.455 ' HA ' HG11 ' A' ' 14' ' ' VAL . 31.2 p90 -143.54 163.55 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 54.33 110.82 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -96.9 129.17 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 51.03 111.004 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB2' ' A' ' 123' ' ' ARG . 7.6 pt -67.5 -31.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.21 111.258 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.417 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 3.4 p-10 -65.57 -19.6 65.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 62.44 111.043 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -121.11 104.95 10.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 71.31 110.829 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 125' ' ' VAL . 1.6 m -61.47 -27.23 68.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 62.25 111.08 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -55.27 -46.57 76.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 73.02 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.422 ' HB3' HG11 ' A' ' 14' ' ' VAL . 4.4 m -57.45 -40.96 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.642 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 133' ' ' LEU . 37.6 t80 -61.15 -27.0 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 73.1 110.566 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.76 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 60.51 110.853 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -75.12 -31.31 61.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.65 -36.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 75.53 110.643 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -64.42 -55.47 20.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 64.33 110.809 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -67.1 -29.9 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 70.3 111.189 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.75 -54.91 36.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 70.12 111.039 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.481 ' NH2' HD22 ' A' ' 113' ' ' LEU . 8.0 ttm-85 -50.84 -37.05 40.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 71.42 111.347 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.52 -37.92 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.381 . . . . 74.45 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -60.38 -29.06 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.45 111.012 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.428 HD12 ' HE1' ' A' ' 111' ' ' MET . 43.5 mt -74.96 -38.45 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.325 -0.398 . . . . 62.1 110.925 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.03 -54.19 44.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 74.12 111.014 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.16 76.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 71.41 111.414 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 72' ' ' MET . 72.3 t -63.5 -65.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 75.23 111.136 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.461 ' HD3' HG11 ' A' ' 109' ' ' VAL . 5.4 mtpm? -59.34 -23.22 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 73.33 111.051 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t0 63.32 52.11 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 50.4 110.938 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.31 150.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 61.32 110.825 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -88.24 -30.64 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -93.75 85.18 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 54.45 110.921 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 104' ' ' LYS . 11.9 m -124.38 152.56 68.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 63.35 111.095 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.18 107.08 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.572 2.181 . . . . 73.35 112.437 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.428 ' HE1' HD12 ' A' ' 100' ' ' ILE . 6.1 ptp -150.24 173.11 14.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 62.22 110.901 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.6 t -150.7 161.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 73.4 111.155 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 134' ' ' ALA . 4.8 tp -129.65 111.24 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.846 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.647 HG21 ' HB1' ' A' ' 155' ' ' ALA . 24.2 t -109.19 155.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 51.33 111.257 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.93 92.39 0.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 53.14 112.393 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 165.87 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 72.44 111.066 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.49 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mttt 60.89 58.97 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.85 -4.77 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 63.23 111.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.36 -15.02 15.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 64.52 111.343 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 117' ' ' LYS . 6.5 mt -49.81 151.16 1.88 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.798 0.332 . . . . 72.41 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -99.71 16.74 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.61 61.11 1.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.834 0.349 . . . . 41.02 111.042 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB2' HD12 ' A' ' 84' ' ' ILE . 7.6 ptp85 -79.53 156.18 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.024 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -125.34 -47.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 52.5 110.794 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 87' ' ' THR . 40.1 t -96.3 96.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.032 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -58.21 159.6 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 44.11 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.2 t -55.96 -29.83 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 65.42 111.066 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -59.78 -46.22 89.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.54 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.34 -31.71 73.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 51.44 110.999 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.74 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.33 111.159 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -32.21 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -67.73 -31.54 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.55 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 90' ' ' PHE . 20.9 tp -78.95 -51.28 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.74 -41.53 98.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 34.13 111.187 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -27.17 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.959 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -76.45 -33.73 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 70.15 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.436 ' HB2' HG12 ' A' ' 139' ' ' ILE . 22.2 m-85 -84.11 -4.95 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.407 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.81 21.89 75.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 62.22 112.544 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 137' ' ' TYR . 16.8 pt -112.8 153.85 45.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 73.21 111.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.512 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.0 Cg_endo -71.08 163.81 37.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.526 2.151 . . . . 65.32 112.193 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 122.59 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 65.21 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.679 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.89 156.46 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.953 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.8 mp0 -124.28 123.51 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.801 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 44.8 p -135.9 177.41 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.51 111.088 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -149.6 114.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 40.44 110.865 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.43 -25.12 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.403 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -80.06 -66.29 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 75.2 111.202 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 p -72.83 -18.05 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 62.21 111.416 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.497 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 62.88 65.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 64.4 110.678 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 126.35 54.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 52.21 111.116 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 49.71 26.52 7.95 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.969 -0.634 . . . . 75.33 112.891 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.751 HG13 HD22 ' A' ' 19' ' ' LEU . 26.7 t -56.67 -55.33 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 52.41 111.117 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.0 mt-10 -65.61 -27.17 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 62.1 110.851 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -40.15 75.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.911 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -69.24 -48.56 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.008 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.85 -47.16 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 63.24 110.79 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.7 m-85 -53.39 -34.58 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 73.35 110.955 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 142' ' ' ILE . 3.1 m -59.13 -35.11 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 54.31 110.886 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.039 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.17 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.54 110.866 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 46' ' ' ILE . 22.0 t -57.98 -36.86 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 63.31 111.003 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.12 -28.57 64.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.13 110.766 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -74.2 -50.29 19.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.942 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 76' ' ' GLU . 15.5 mt -59.54 -45.75 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.311 -0.404 . . . . 61.15 111.134 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -43.39 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.989 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.44 6.78 39.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.35 111.541 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.889 . . . . 62.14 110.825 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.571 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 53.14 111.228 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -65.49 149.77 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 72.33 110.549 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -106.86 119.63 39.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.984 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.5 m-85 -107.66 108.59 19.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 74.31 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.33 98.37 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 75.53 111.025 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.786 HD22 HD13 ' A' ' 159' ' ' LEU . 39.0 mt -88.44 106.59 18.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 62.05 110.819 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.19 102.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 74.51 110.959 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.13 123.17 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 63.42 111.273 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -122.32 150.36 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 176.95 39.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 53.12 112.476 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -96.96 135.74 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.33 111.208 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 114.46 1.85 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.956 -0.64 . . . . 55.31 112.629 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.6 12.58 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 70.12 112.424 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 11' ' ' ALA . 29.1 m -98.61 -26.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 42.41 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.8 15.33 31.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.05 112.603 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' H ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.343 . . . . 72.24 110.735 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -81.56 -31.75 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 64.42 110.849 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -49.74 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 42.42 111.285 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.963 HD22 HG13 ' A' ' 152' ' ' VAL . 74.4 mt -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 75.22 111.069 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.808 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -62.71 -58.6 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.358 -0.383 . . . . 64.21 111.01 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -58.7 -28.59 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.265 -0.425 . . . . 75.42 111.072 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -58.91 -48.15 82.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 61.21 110.795 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 tp -75.87 -10.46 59.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 72.5 111.221 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.42 -69.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 73.14 111.337 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 63.01 111.198 -179.597 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.757 0.313 . . . . 74.23 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' HB2' HD12 ' A' ' 52' ' ' LEU . 22.6 ptt180 -111.75 138.69 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 45.31 110.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -133.23 146.43 51.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.813 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -96.33 120.25 36.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.004 -0.544 . . . . 63.14 110.773 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.98 176.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.406 . . . . 64.22 111.29 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 t -122.41 100.84 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 70.33 110.887 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.582 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -116.49 132.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.152 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.87 35.77 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.15 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.29 35.59 79.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 74.43 112.547 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -147.38 110.31 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 73.32 110.871 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -59.03 119.93 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.754 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.31 148.84 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.051 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -85.77 137.96 32.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 72.13 110.745 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 53' ' ' LEU . 21.1 mt -107.91 76.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.991 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.92 90.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.837 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.808 HG21 HG23 ' A' ' 20' ' ' THR . 27.5 mm -77.2 112.74 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 70.01 111.038 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.956 HD21 ' CE1' ' A' ' 71' ' ' TYR . 1.1 tm? -106.27 114.52 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.31 110.427 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -112.82 135.41 53.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -80.31 -173.72 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 111.265 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.724 0.297 . . . . 73.12 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -53.79 -47.01 71.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 64.52 110.967 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -28.77 23.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.77 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.586 ' O ' HG23 ' A' ' 74' ' ' THR . 13.3 tp60 -82.54 -46.35 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 72.11 110.61 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.956 ' CE1' HD21 ' A' ' 56' ' ' LEU . 53.6 m-85 -56.69 -38.69 72.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.312 -0.404 . . . . 73.31 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.438 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -68.76 -53.01 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 54.54 110.206 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -64.72 -16.74 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.826 -0.624 . . . . 75.45 111.14 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 70' ' ' GLN . 73.7 p -103.1 -0.77 30.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.375 -0.375 . . . . 73.53 111.126 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.43 157.61 15.01 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.549 -0.834 . . . . 71.53 112.947 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.8 -18.38 17.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 62.44 110.984 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.78 175.77 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.1 112.376 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CE1' HG23 ' A' ' 100' ' ' ILE . 30.1 m-85 -141.36 140.35 33.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 72.3 111.148 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -119.95 121.73 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 60.45 110.791 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 50.9 m -96.08 114.03 25.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 75.04 110.916 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.4 113.73 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 63.15 111.047 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.3 p90 -128.1 143.68 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 124.75 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 62.21 111.072 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -58.54 -31.12 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 74.34 110.944 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 122' ' ' ALA . 3.2 m120 -67.63 -17.56 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 62.33 111.035 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -120.3 110.31 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.406 -0.361 . . . . 62.41 110.808 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 125' ' ' VAL . 4.4 m -69.43 -25.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 75.03 111.153 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -61.4 -42.27 98.45 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.429 -0.35 . . . . 63.5 110.663 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -32.39 73.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.752 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.31 -51.99 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 63.34 110.773 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.17 -27.82 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 13.9 m-20 -70.6 -34.03 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 65.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 30.6 mm -60.03 -26.82 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 63.54 110.947 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -74.68 -55.46 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 72.44 110.762 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -65.87 -28.66 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.11 111.063 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.5 m-85 -58.99 -36.66 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 63.23 110.9 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -66.08 -35.82 81.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 71.34 110.706 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.95 -30.42 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -76.19 -37.01 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 78' ' ' PHE . 47.4 mt -70.01 -46.82 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.981 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -57.22 -34.57 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.967 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -58.94 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.973 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.9 t -62.12 -52.23 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.967 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -26.49 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t0 64.16 42.61 5.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 64.51 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -164.91 154.78 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -41.03 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.93 88.49 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.57 153.62 47.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 63.12 111.154 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.77 104.18 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 71.43 112.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -153.24 169.2 23.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.33 148.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 63.12 111.213 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 82' ' ' PHE . 3.6 tp -112.02 110.54 20.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.51 110.812 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.724 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.3 t -98.96 154.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.234 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.05 80.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 60.45 112.401 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.13 167.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 75.52 111.096 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.488 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 61.05 63.43 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.958 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 t -105.47 5.7 31.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.4 111.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.28 -29.79 8.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.823 0.344 . . . . 75.52 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.488 HD12 ' HG2' ' A' ' 117' ' ' LYS . 28.5 mt -55.51 150.14 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 55.32 111.056 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.63 35.92 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 60.24 111.156 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.453 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . -143.2 52.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.747 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -74.8 139.22 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.925 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.6 p -111.86 -38.45 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.765 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 87' ' ' THR . 77.5 t -104.96 97.91 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.44 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.43 159.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.107 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 t -58.22 -48.49 80.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.315 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.31 -34.42 33.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 73.32 111.233 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.64 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.51 -34.58 41.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 65.42 110.852 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.696 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.92 -46.53 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.691 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.66 -45.8 60.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.637 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.77 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.521 . . . . 54.24 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -40.96 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.827 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -73.58 -30.35 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 54.32 110.729 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.435 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 3.8 m-30 -77.31 -24.57 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 73.45 111.047 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.87 17.53 65.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 53.31 112.639 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -114.71 156.94 44.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 64.53 111.538 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.11 155.5 61.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.541 2.161 . . . . 63.0 112.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -123.21 117.47 25.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.632 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 158' ' ' THR . 3.4 mp -122.46 152.41 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.137 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -116.87 133.29 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.773 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 35.1 p -141.91 173.25 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 65.52 111.248 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.17 118.94 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 32.15 110.67 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HB2' ' HG ' ' A' ' 19' ' ' LEU . . . -72.44 -21.59 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.516 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -82.96 -52.47 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 71.13 111.174 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -87.19 -19.24 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 65.15 111.397 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 152' ' ' VAL . 2.5 tmm_? 63.13 63.68 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.946 0.403 . . . . 74.35 110.659 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.97 117.74 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 71.25 111.022 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 67.91 11.54 60.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.796 -0.716 . . . . 73.34 113.035 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.963 HG13 HD22 ' A' ' 19' ' ' LEU . 41.2 t -56.92 -41.31 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-O 120.84 0.352 . . . . 52.21 111.298 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.6 mt-10 -69.74 -30.53 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -55.68 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 61.04 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.724 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -52.74 -42.45 64.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 72.12 111.379 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.11 -50.77 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.2 m-85 -57.24 -25.54 59.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.14 111.081 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 142' ' ' ILE . 6.5 m -57.5 -50.59 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 73.35 111.115 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.786 HD13 HD22 ' A' ' 6' ' ' LEU . 1.1 mt -53.87 -38.08 64.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.832 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 46' ' ' ILE . 39.9 t -58.41 -46.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.946 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.19 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.2 110.735 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.14 -51.01 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 72.2 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.555 HD11 HD22 ' A' ' 159' ' ' LEU . 55.1 mt -59.9 -44.37 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.029 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 72.02 110.799 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -104.12 25.27 10.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.037 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.256 -0.878 . . . . 74.0 111.031 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 72.31 111.162 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.89 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.749 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.3 113.01 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -102.92 129.02 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.025 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 11.7 mmtm -102.42 106.06 16.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.79 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.1 mt -95.54 109.4 21.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.143 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 6.1 t -88.38 102.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 54.54 110.887 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.91 129.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 72.2 111.268 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.3 m -138.2 154.5 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.042 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -171.15 -163.95 26.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 44.05 112.486 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.29 22.31 9.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.702 0.287 . . . . 61.11 111.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.19 -62.54 1.75 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.814 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.19 38.31 3.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 60.45 112.833 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 11' ' ' ALA . 32.6 m -111.07 -27.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 71.01 111.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.94 26.23 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 74.54 112.494 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -65.03 -32.9 74.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.774 0.321 . . . . 72.22 110.816 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -74.21 -30.57 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 53.32 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.18 -52.7 31.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.125 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG21 ' A' ' 81' ' ' VAL . 98.8 mt -57.21 -30.35 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.107 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.66 HG23 HG21 ' A' ' 55' ' ' ILE . 85.1 m -65.83 -48.25 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 41.13 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.615 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.6 mp -76.29 -31.37 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.765 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -61.21 -33.5 73.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 64.41 110.797 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -76.83 -48.37 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.938 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -72.28 -69.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.228 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 . . . . . 0 CA--C 1.539 0.52 0 CA-C-N 116.393 -0.367 . . . . 72.03 110.685 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.615 ' OH ' HD11 ' A' ' 21' ' ' ILE . 5.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 74.42 110.741 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' HD12 ' A' ' 52' ' ' LEU . 52.2 mtm180 -138.43 106.4 5.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.973 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 52' ' ' LEU . 23.2 tttt -110.17 145.95 36.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.789 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -108.09 120.04 41.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.75 175.87 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 74.1 111.248 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.78 101.22 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 75.23 111.053 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 39.0 mt -115.83 137.33 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.087 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.63 16.98 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 51.34 111.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.69 -19.26 49.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.634 -0.793 . . . . 54.33 112.917 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.47 154.51 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 72.45 111.05 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -90.02 130.31 36.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 73.32 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 m -150.48 147.03 27.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 60.43 111.053 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -80.3 159.12 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 62.24 110.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -127.27 91.19 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -79.8 100.92 8.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.805 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.75 ' CD1' HD12 ' A' ' 6' ' ' LEU . 11.5 mm -85.26 108.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 70.12 111.213 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' A' ' 71' ' ' TYR . 20.5 tp -90.26 123.51 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 65.12 110.664 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -113.46 86.34 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.058 -0.519 . . . . 73.22 110.895 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 71' ' ' TYR . 26.2 p -75.48 179.45 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.0 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 42.01 111.163 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.729 0.3 . . . . 72.23 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -53.02 -47.08 68.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 75.4 111.059 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -40.52 85.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.786 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.874 ' O ' HG23 ' A' ' 74' ' ' THR . 4.8 tp60 -58.55 -42.32 87.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.819 ' CD1' HD21 ' A' ' 56' ' ' LEU . 19.4 m-85 -59.39 -36.11 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 75.51 110.777 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.872 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.9 mtt -67.81 -41.99 82.26 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.594 -0.521 . . . . 63.33 109.594 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HG2' HG13 ' A' ' 103' ' ' VAL . 50.1 mtm180 -73.88 -11.84 60.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 61.34 111.007 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 70' ' ' GLN . 67.1 p -99.49 -30.5 12.13 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.958 0.409 . . . . 73.52 110.717 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -87.32 155.97 27.73 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.868 -0.682 . . . . 62.42 113.998 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.92 1.32 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.401 -0.4 . . . . 72.12 110.614 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.3 140.73 5.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.132 -0.556 . . . . 45.51 111.947 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 100' ' ' ILE . 9.7 m-85 -112.89 153.82 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 73.33 111.427 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.56 112.96 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.629 . . . . 74.53 110.817 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.731 ' HB3' HD12 ' A' ' 93' ' ' ILE . 34.5 m -91.38 103.1 15.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 52.1 110.81 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.2 p -112.16 130.99 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 71.12 111.146 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.7 p90 -142.27 162.41 35.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 63.42 110.811 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.27 123.7 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 53.53 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.5 pt -60.56 -24.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 72.22 111.086 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.58 -30.7 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 43.21 110.809 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -107.96 112.62 25.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.401 ' HA ' HG21 ' A' ' 125' ' ' VAL . 37.3 m -70.09 -27.18 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.94 -30.06 70.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.606 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.462 ' HB3' HG11 ' A' ' 14' ' ' VAL . 14.2 m -71.79 -40.25 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.567 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.71 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.19 -29.32 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.34 110.932 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -75.97 -31.59 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 54.43 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.4 mm -60.65 -30.48 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 73.03 110.945 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.73 -55.38 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.906 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -65.55 -28.46 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 70.24 111.174 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 100' ' ' ILE . 2.8 m-85 -58.87 -36.08 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 73.31 111.029 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 1.9 ttt180 -65.11 -35.29 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.761 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.88 -29.97 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.53 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 51.01 110.888 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 96' ' ' TYR . 2.8 mp -61.35 -41.61 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.35 -34.31 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.93 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -71.81 -57.79 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.604 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.872 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.5 t -56.55 -53.9 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 72.12 110.995 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -63.74 -24.16 67.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 71.21 110.918 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 t0 63.97 40.92 6.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 63.31 110.755 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 144.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 44.45 110.878 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.93 -39.84 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 71.13 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -77.79 94.52 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 104' ' ' LYS . 34.1 m -136.42 154.74 77.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.175 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 101.05 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 73.34 112.338 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.6 mtm -134.31 169.36 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.73 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 159' ' ' LEU . 12.6 t -144.99 155.79 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 73.22 111.179 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.1 tp -130.77 108.6 9.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.25 111.0 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.862 HG21 ' HB1' ' A' ' 155' ' ' ALA . 37.1 t -111.34 141.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.11 111.149 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.1 84.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.801 -0.714 . . . . 64.54 112.435 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.81 165.17 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.44 110.986 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 60.77 74.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 t -107.34 -22.79 12.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 32.35 111.138 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.5 -29.79 52.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 63.45 111.154 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.22 152.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 73.05 111.183 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.71 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.304 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.04 66.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.676 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -86.12 109.15 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.782 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -80.84 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.574 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 87' ' ' THR . 39.5 t -77.18 109.28 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 75.34 110.902 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.43 157.89 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.34 111.052 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.7 p -66.5 -38.67 87.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 64.22 111.014 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -56.37 -43.42 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.02 -37.84 84.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.09 -36.53 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.3 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.2 -41.55 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 71.22 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.612 HD11 ' CE1' ' A' ' 137' ' ' TYR . 17.9 tp -73.33 -51.41 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.41 -44.95 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.167 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -41.63 87.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.845 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -73.23 -38.0 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.685 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.612 ' CE1' HD11 ' A' ' 133' ' ' LEU . 2.7 m-30 -63.04 -25.34 68.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 73.42 111.009 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.78 12.96 60.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 70.42 112.672 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.64 154.91 44.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.307 . . . . 64.13 111.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.48 158.71 53.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.575 2.183 . . . . 74.52 112.333 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -122.23 116.37 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 1.151 HD11 HG21 ' A' ' 158' ' ' THR . 2.6 mp -118.24 153.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.13 110.955 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -119.9 120.56 36.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.41 -0.359 . . . . 71.34 110.96 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 67.0 p -132.23 170.17 15.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.2 p -141.3 112.24 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 75.5 110.804 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -63.79 -25.21 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.41 111.544 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.17 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 72.43 111.338 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -70.16 -21.58 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 54.14 111.312 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.64 72.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 74.15 110.662 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 144' ' ' THR . 2.7 tt0 -126.85 122.08 33.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 53.12 110.857 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.71 17.01 48.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 75.35 112.908 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 149' ' ' ARG . 24.2 t -52.23 -55.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.832 0.348 . . . . 72.24 111.044 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.0 OUTLIER -62.9 -27.57 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.749 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -49.39 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.949 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.862 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.68 -45.86 88.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 72.42 111.28 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.45 -51.91 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 53.12 111.135 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 20.9 m-85 -54.74 -32.37 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 74.22 111.035 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 1.151 HG21 HD11 ' A' ' 142' ' ' ILE . 3.3 m -57.84 -43.65 86.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 64.34 110.897 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.509 HD13 HG23 ' A' ' 112' ' ' VAL . 32.2 tp -59.0 -42.46 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.666 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.7 t -51.7 -56.55 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.021 -0.536 . . . . 53.45 111.259 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -34.96 71.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.191 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.73 -49.47 62.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 74.12 111.081 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.415 HD11 ' HG ' ' A' ' 159' ' ' LEU . 78.2 mt -55.86 -35.35 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.385 -0.37 . . . . 52.11 111.169 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -30.61 69.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.691 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.27 27.53 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.31 111.064 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.275 -0.869 . . . . 75.44 110.972 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.838 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.784 0.326 . . . . 71.12 111.251 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.2 149.77 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.821 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.02 115.32 30.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.1 120.53 42.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 74.15 111.072 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' CB ' ' HA2' ' A' ' 75' ' ' GLY . 2.8 mmtm -101.83 96.44 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.824 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.5 mt -87.82 116.14 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 70.2 111.126 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 71' ' ' TYR . 43.7 t -94.89 106.41 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.034 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 56' ' ' LEU . 7.6 p -79.33 147.68 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 72.34 111.307 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -154.91 148.33 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 62.31 111.073 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . 139.98 74.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.654 -0.784 . . . . 72.14 112.796 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . 55.9 -163.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.693 0.282 . . . . 74.22 111.197 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 0.03 6.63 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.757 -0.735 . . . . 74.35 113.136 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -10.72 10.22 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.691 -0.766 . . . . 70.2 112.71 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 11' ' ' ALA . 26.1 m -56.56 -31.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 73.51 111.234 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.9 24.06 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 62.33 112.373 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 8' ' ' VAL . 3.7 pttm -59.04 -32.59 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 61.12 110.859 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -34.46 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.846 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.09 -58.13 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.605 HD23 ' ND2' ' A' ' 116' ' ' ASN . 3.2 pp -56.52 -26.38 54.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.934 HG23 HG21 ' A' ' 55' ' ' ILE . 93.7 m -69.68 -58.35 4.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 72.13 110.788 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' OH ' ' A' ' 40' ' ' TYR . 49.6 mm -57.52 -33.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.007 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -58.93 -44.98 91.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 71.01 110.756 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.58 -5.74 48.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 74.5 111.41 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.62 -70.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 72.52 111.042 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 74.42 111.382 -179.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.655 ' OH ' HD11 ' A' ' 21' ' ' ILE . 6.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.854 0.359 . . . . 72.34 111.068 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -145.73 108.5 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.926 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -117.45 145.93 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.1 140.78 30.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.082 -0.508 . . . . 62.14 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 53' ' ' LEU . 31.2 m -150.93 158.75 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.066 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.65 100.87 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.058 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -123.21 134.44 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.996 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.5 32.86 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.86 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.46 26.81 62.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 74.13 112.574 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -143.16 110.56 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 72.23 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 127.72 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.869 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 2' ' ' THR . 63.8 m -147.77 143.21 27.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.42 111.028 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.838 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.44 147.02 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.606 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 44' ' ' VAL . 34.0 mt -117.22 103.03 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 72.24 111.006 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -96.12 99.86 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.81 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.934 HG21 HG23 ' A' ' 20' ' ' THR . 10.3 mm -86.07 108.53 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 72.24 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.737 ' O ' HG12 ' A' ' 8' ' ' VAL . 2.1 tt -85.24 127.28 34.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 43.34 110.981 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 56' ' ' LEU . 30.6 t0 -109.59 88.22 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.718 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.571 ' CG2' HD22 ' A' ' 56' ' ' LEU . 12.9 p -80.55 -176.3 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.013 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 60.41 111.185 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.787 0.327 . . . . 75.45 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -55.14 23.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.394 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -48.92 -34.94 13.81 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.199 0.524 . . . . 73.02 110.296 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -60.63 -62.43 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.431 -0.804 . . . . 73.32 111.606 179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.9 m-85 -49.1 -27.72 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.12 -0.945 . . . . 74.44 111.092 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.842 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -73.98 -42.55 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.122 0.487 . . . . 72.21 109.707 178.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 5.9 mtp-105 -81.65 -18.7 43.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.628 -0.714 . . . . 64.34 111.591 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 43.7 p -97.68 -16.12 20.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.736 0.303 . . . . 75.11 111.052 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 5' ' ' LYS . . . -95.8 162.32 23.12 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.627 -0.797 . . . . 42.31 113.167 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -104.74 -15.2 15.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 75.45 111.046 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.61 -173.28 21.24 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.871 -0.681 . . . . 61.31 112.273 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 100' ' ' ILE . 82.4 m-85 -151.76 129.36 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.21 111.043 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.877 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -114.86 120.53 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 62.31 110.842 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.2 m -94.65 109.71 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 HD21 ' A' ' 19' ' ' LEU . 39.4 t -105.01 113.14 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.165 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.638 ' CD1' HD11 ' A' ' 113' ' ' LEU . 15.2 p90 -125.4 139.99 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.771 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.16 123.73 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 64.2 111.085 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.4 pt -58.74 -26.5 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 72.43 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 17.6 t-20 -76.89 -30.28 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.897 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.1 109.9 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.605 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -70.42 -20.68 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.21 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.1 -46.55 80.63 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.822 0.344 . . . . 65.4 110.652 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.94 -31.01 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 74.35 110.727 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.55 -53.01 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 64.11 110.87 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.39 -28.81 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 65.22 111.1 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -67.74 -31.51 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 71.41 110.962 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.5 mm -61.46 -28.36 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 74.41 110.913 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -74.13 -55.34 6.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.822 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -28.62 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 44.01 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.0 m-85 -64.98 -47.01 79.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 65.32 110.831 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -37.14 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.945 -0.57 . . . . 74.45 110.95 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.06 -36.16 83.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 71.03 110.984 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -32.98 73.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 72.34 111.003 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.445 HG23 ' CE1' ' A' ' 78' ' ' PHE . 34.2 mt -74.03 -44.44 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.117 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -41.55 65.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 75.44 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -58.85 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.842 HG11 ' HB2' ' A' ' 72' ' ' MET . 60.1 t -56.65 -64.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.074 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.12 -25.33 63.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.729 . . . . 71.24 110.935 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t0 61.59 45.77 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 62.34 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 t -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 71.11 110.838 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -81.49 -33.46 31.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.25 110.956 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.48 85.41 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.004 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' CG2' ' HE3' ' A' ' 111' ' ' MET . 32.0 m -119.14 153.63 53.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 52.11 111.006 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.23 109.05 2.63 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.563 2.175 . . . . 74.32 112.489 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.645 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.5 ptp -156.37 168.52 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.2 110.885 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 140' ' ' PRO . 22.2 t -145.57 153.82 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.21 111.327 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.638 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.2 tp -115.75 116.57 28.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.4 t -113.21 146.28 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 65.44 111.24 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.28 85.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.861 -0.685 . . . . 75.55 112.381 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.664 HD21 ' HB2' ' A' ' 146' ' ' ALA . 1.8 t-20 -62.29 175.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 60.51 111.037 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.503 ' O ' HD11 ' A' ' 84' ' ' ILE . 2.7 tttt 60.48 47.93 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.03 111.042 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.4 t -105.94 19.71 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 53.04 111.267 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.97 -15.11 11.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.535 -0.302 . . . . 63.43 111.752 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.429 HD13 ' CE ' ' A' ' 117' ' ' LYS . 0.7 OUTLIER -89.02 170.57 10.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 70.42 111.101 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.77 50.67 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 55.51 111.162 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -148.12 72.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.012 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.71 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -102.12 106.89 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.785 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -83.58 -48.57 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.615 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 87' ' ' THR . 61.0 t -94.15 95.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 72.2 110.778 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.94 157.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.178 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.11 -39.5 86.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 51.44 111.028 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -53.01 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.12 -45.11 71.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 71.2 111.091 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.92 -33.27 68.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 61.04 111.158 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -42.78 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.925 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.67 -35.77 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.946 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.28 -51.37 17.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.06 -46.56 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.092 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -28.7 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.34 111.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -73.31 -37.54 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 44.5 110.755 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -76.28 -22.16 55.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 75.1 111.021 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.59 61.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 44.14 112.508 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.645 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -110.92 156.86 40.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 74.33 111.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.638 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.4 Cg_endo -71.35 153.93 61.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.541 2.161 . . . . 74.23 112.41 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -123.63 104.29 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.704 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.91 HD11 HG21 ' A' ' 158' ' ' THR . 4.1 mp -104.33 150.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.51 129.92 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 60.41 110.736 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -143.89 -177.37 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.25 111.047 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.601 ' HB3' HG22 ' A' ' 148' ' ' THR . 1.5 t -144.78 124.8 13.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 62.02 110.738 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.664 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -76.82 -14.49 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 54.44 111.514 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.31 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 64.31 111.373 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 145' ' ' SER . 1.2 t -111.87 -24.64 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 73.42 111.288 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HA ' HG21 ' A' ' 152' ' ' VAL . 1.4 tmm_? 72.22 45.62 0.37 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 71.34 110.673 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.18 117.2 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.02 111.232 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.25 11.22 58.69 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.999 -0.62 . . . . 70.14 113.338 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 149' ' ' ARG . 90.1 t -58.57 -36.53 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.924 0.362 . . . . 73.4 111.216 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.4 mt-10 -72.77 -32.83 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.03 110.915 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -52.63 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.1 -52.36 44.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.414 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.689 ' CD2' HD13 ' A' ' 23' ' ' LEU . 26.0 m-85 -59.24 -51.25 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 72.12 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.6 m-85 -55.25 -32.0 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.967 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.91 HG21 HD11 ' A' ' 142' ' ' ILE . 4.5 m -58.71 -44.37 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 64.25 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.877 HD22 HD12 ' A' ' 79' ' ' LEU . 35.3 tp -60.68 -41.32 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.058 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' ILE . 60.8 t -54.69 -43.68 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 71.21 111.086 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -70.55 -27.08 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.7 -48.04 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.11 111.125 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.411 HD11 ' HG ' ' A' ' 159' ' ' LEU . 61.7 mt -63.01 -38.87 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.357 -0.383 . . . . 72.41 111.202 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.9 41.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.3 -29.49 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 53.31 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.263 -0.875 . . . . 75.02 110.857 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.674 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.988 0.423 . . . . 51.2 111.346 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 146.66 37.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.804 -0.635 . . . . 72.45 110.842 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.12 118.92 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.736 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.34 117.35 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.162 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -84.48 106.92 16.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 74.41 110.747 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.1 mm? -96.62 95.29 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 74.02 110.869 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.54 108.24 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 70.53 111.112 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.35 140.12 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.92 -177.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 70.43 111.062 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 129.84 157.61 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 33.31 112.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -55.83 151.15 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 44.4 111.022 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.75 -24.55 13.17 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.807 -0.711 . . . . 43.21 112.733 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.04 65.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.652 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.8 m -140.8 16.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.621 0.248 . . . . 73.23 111.462 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . 54.36 25.71 34.62 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.726 -0.749 . . . . 62.45 112.675 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -44.86 91.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 72.35 110.838 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -69.22 -25.26 64.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 54.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.32 -50.76 70.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 72.2 111.326 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.13 -34.58 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.639 HG21 ' HB2' ' A' ' 57' ' ' ASP . 4.8 m -57.64 -56.3 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.188 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.79 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.291 -0.413 . . . . 54.42 110.783 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.45 -50.81 57.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 65.13 110.857 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 23' ' ' LEU . 2.3 tm? -65.24 -52.07 56.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 64.52 110.822 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.19 -56.43 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 116.163 -0.471 . . . . 64.15 110.152 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.864 0.364 . . . . 72.44 110.736 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -146.3 132.07 19.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.15 110.836 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.898 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.624 ' HG3' HD22 ' A' ' 52' ' ' LEU . 31.7 tt0 -104.24 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 62.35 110.727 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.17 177.69 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.264 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.76 101.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.33 111.001 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.605 ' CD1' HG11 ' A' ' 160' ' ' VAL . 31.3 mt -115.33 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 60.69 34.04 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.852 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.03 28.24 68.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.508 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.97 114.29 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 55.33 110.938 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -62.31 122.47 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.9 m -145.25 150.8 37.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.842 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.674 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -83.81 147.83 27.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 46' ' ' ILE . 62.4 mt -124.0 95.55 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.758 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 96.63 9.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.921 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.663 HD13 ' HB2' ' A' ' 6' ' ' LEU . 11.7 mm -89.68 108.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 74.4 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -93.51 130.59 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.508 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.639 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.3 t70 -115.32 105.41 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 61.14 110.901 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 p -75.49 -174.44 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.762 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 70.45 111.176 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 63.6 mtp . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.695 0.283 . . . . 62.31 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -50.82 -37.86 45.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.829 0.347 . . . . 72.23 110.499 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -33.81 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 71.25 110.296 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 74' ' ' THR . 4.1 tp60 -69.82 -41.29 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 75.23 110.36 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' HD11 ' A' ' 56' ' ' LEU . 14.1 m-85 -58.57 -39.1 79.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.2 mtt -63.5 -37.03 85.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 61.03 110.335 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -81.17 -10.15 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.754 -0.657 . . . . 71.22 111.052 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 70' ' ' GLN . 42.7 p -102.07 -20.62 14.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.433 -0.349 . . . . 54.33 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -103.7 169.18 17.89 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.607 -0.806 . . . . 35.02 113.025 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.04 -15.18 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.7 0.286 . . . . 71.5 111.1 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.69 -176.86 19.06 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.768 -0.729 . . . . 54.34 112.356 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 100' ' ' ILE . 57.4 m-85 -154.65 140.7 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 73.13 110.993 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD22 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -119.61 127.27 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.865 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 21.8 m -97.71 113.71 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.43 110.91 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.09 117.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.89 153.79 45.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.522 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.72 123.62 41.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 62.51 111.086 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -60.35 -21.83 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.14 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.449 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.7 OUTLIER -83.3 -31.36 26.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 71.35 110.792 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.97 111.79 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.956 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -72.45 -28.5 62.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.858 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -61.64 -40.09 93.65 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.596 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.6 m -61.38 -31.35 71.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.776 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 125' ' ' VAL . 9.6 t80 -60.47 -52.87 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.828 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.17 -28.07 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 71.11 110.929 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 13.9 m-20 -71.69 -32.35 67.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 75.11 110.834 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -60.65 -30.93 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.14 110.76 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.24 -55.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.936 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -66.45 -30.12 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.32 111.064 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.419 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -59.4 -44.71 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 72.24 110.874 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.15 -33.58 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.54 -32.71 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.952 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -39.93 81.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 111' ' ' MET . 53.7 mt -65.85 -46.66 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.023 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -32.98 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 64.12 110.978 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -58.63 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.822 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 72' ' ' MET . 36.8 t -63.78 -53.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.019 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.964 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.3 t70 63.84 44.93 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 43.41 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -164.31 151.9 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.52 -37.11 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.03 89.79 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 44.24 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.35 153.31 50.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.04 109.25 2.51 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.583 2.189 . . . . 60.3 112.342 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.782 ' HG3' HG21 ' A' ' 139' ' ' ILE . 7.5 ptp -158.5 169.08 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.947 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.3 t -145.23 149.96 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.165 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 80' ' ' CYS . 7.9 tp -109.08 108.95 19.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.54 110.778 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -100.12 143.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.249 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.77 85.42 0.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.828 -0.701 . . . . 52.52 112.374 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.518 HD21 ' HB2' ' A' ' 146' ' ' ALA . 14.3 t-20 -61.61 168.62 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 62.2 111.017 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER 60.98 61.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 64.34 111.005 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.2 t -101.85 3.62 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 62.31 111.365 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -110.59 -18.6 13.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.663 0.268 . . . . 71.35 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 120' ' ' LEU . 7.6 mt -50.71 175.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 73.04 111.096 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.47 23.65 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 62.54 111.402 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.84 60.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 64.25 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -84.26 144.11 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 53.31 110.989 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -111.35 -47.19 3.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.54 110.78 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 90' ' ' PHE . 44.0 t -94.54 106.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.31 163.41 15.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 64.5 110.921 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 m -59.35 -30.3 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.056 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -56.46 -48.7 76.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -59.41 -42.95 92.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 73.01 111.069 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.51 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 64.55 111.255 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -36.92 82.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 70.43 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.0 tp -74.37 -51.47 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.98 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.18 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.31 111.23 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.985 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -72.84 -39.15 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.627 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.404 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.3 m-85 -70.65 -23.32 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 74.54 110.943 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.75 16.54 63.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 62.54 112.566 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.782 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.8 pt -110.79 156.8 40.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 65.23 111.476 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.458 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.9 Cg_endo -71.54 156.35 58.07 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.609 2.206 . . . . 61.05 112.274 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -127.78 118.29 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.936 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -119.9 150.94 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.022 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -118.04 128.86 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.42 110.625 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.1 p -138.31 174.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 65.03 111.227 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 124.75 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.43 110.776 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -77.06 -8.67 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 61.3 111.491 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -97.36 -54.7 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 62.34 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -85.92 -21.58 27.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 72.12 111.284 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.79 66.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.401 . . . . 72.33 110.659 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.65 103.38 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.24 111.074 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 144' ' ' THR . . . 78.13 16.49 79.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.797 -0.716 . . . . 73.2 112.974 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.15 -54.17 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 120.827 0.346 . . . . 61.23 111.129 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 3.7 mt-10 -62.65 -30.15 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.07 -54.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.957 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -50.12 -39.8 44.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 72.21 111.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -72.75 -46.73 51.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.71 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 m-85 -57.7 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 61.23 111.045 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 142' ' ' ILE . 85.9 m -59.68 -44.02 93.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.992 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 6' ' ' LEU . 21.4 tp -66.44 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 65.01 111.125 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 46' ' ' ILE . 44.8 t -56.59 -39.7 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 60.12 111.101 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -72.17 -29.1 63.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.3 110.804 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.53 -50.81 23.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 63.02 110.967 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.54 -37.22 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.168 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.794 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -78.15 -29.26 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.849 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.252 -0.88 . . . . 72.21 110.862 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.593 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.955 0.407 . . . . 74.22 111.299 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.94 143.02 57.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 74.43 110.784 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.49 123.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 73.25 110.677 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -110.33 139.21 45.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 72.2 111.075 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 99.26 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 72.23 110.688 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -93.12 97.87 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.777 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 HD12 ' A' ' 56' ' ' LEU . 43.6 t -80.18 137.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 74.12 111.038 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.22 146.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 64.34 111.417 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.9 m -125.66 164.93 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 50.31 110.708 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.73 162.28 30.3 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.496 -0.859 . . . . 60.03 112.733 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.21 22.23 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 64.12 111.197 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.98 28.34 66.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 73.41 112.754 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.7 40.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.556 -0.831 . . . . 75.1 112.81 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 89' ' ' SER . 27.2 m -119.72 -7.06 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.825 0.306 . . . . 73.12 111.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.18 40.48 82.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 74.02 112.549 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -31.07 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 71.52 110.889 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -69.17 -31.32 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 53.11 110.711 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.44 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.146 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 HG13 ' A' ' 152' ' ' VAL . 0.2 OUTLIER -51.38 -41.47 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.118 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.697 HG23 HG21 ' A' ' 55' ' ' ILE . 86.2 m -66.92 -54.06 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 44.31 111.071 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -59.37 -27.45 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.237 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.2 -42.79 91.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 72.22 110.77 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 tp -73.65 -21.41 60.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 74.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 mm -84.53 -70.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 111.931 0.345 . . . . 61.14 111.931 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.579 -0.282 . . . . 75.3 111.597 -179.101 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.806 0.336 . . . . 71.15 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -147.6 159.49 43.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.1 110.892 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -158.16 147.1 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.86 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' HD22 ' A' ' 52' ' ' LEU . 1.6 tt0 -102.21 123.67 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.856 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 m -134.89 -178.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 73.53 111.126 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.9 t -121.11 100.8 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.078 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.734 ' CD1' HG21 ' A' ' 160' ' ' VAL . 54.6 mt -116.39 136.85 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 62.21 111.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.85 33.09 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 70.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.6 28.46 67.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 54.12 112.45 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -141.89 113.97 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 51.22 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.9 m -62.35 120.42 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 54.43 110.837 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.2 m -143.93 147.34 33.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.791 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.45 146.88 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.923 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 60.7 mt -125.41 93.83 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.04 110.834 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 98.84 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.784 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.697 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -77.04 110.77 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.04 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.1 tm? -89.45 111.95 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.093 -0.503 . . . . 73.4 111.021 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.78 106.31 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.858 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -76.14 -173.76 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 60.43 111.052 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 3.1 mmt . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.862 0.363 . . . . 43.31 110.385 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 71.12 110.687 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.04 -29.39 70.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 74.13 110.481 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' THR . 6.8 tp60 -74.61 -49.48 21.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 72.13 110.709 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.819 ' CD1' HD11 ' A' ' 56' ' ' LEU . 97.6 m-85 -50.94 -35.09 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.905 0.383 . . . . 74.21 110.791 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.42 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.8 mtt -73.85 -43.38 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 71.33 110.466 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -75.5 -16.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.965 -0.561 . . . . 75.22 111.038 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 70' ' ' GLN . 79.3 p -101.31 -8.74 21.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.882 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.86 166.0 14.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.767 . . . . 61.14 112.661 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.8 -12.46 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.654 0.264 . . . . 72.35 111.146 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.6 -178.68 26.59 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.774 -0.727 . . . . 72.34 112.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 100' ' ' ILE . 64.4 m-85 -153.1 142.83 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 75.0 111.231 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.01 129.73 55.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.733 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 76.6 m -103.57 112.62 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 51.14 110.897 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.18 106.3 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.54 111.032 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.7 151.63 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.484 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.77 42.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.325 -0.398 . . . . 71.13 111.162 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.6 pt -67.81 -13.48 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.44 111.215 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -28.6 14.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.414 -0.357 . . . . 44.41 110.54 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.81 107.29 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 63.4 110.83 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -64.43 -25.62 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.34 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -65.49 -45.26 84.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 63.41 111.094 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' HG12 ' A' ' 14' ' ' VAL . 77.8 p -57.03 -44.73 83.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 53.22 111.02 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 19.7 t80 -59.48 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.878 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.85 -30.96 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.407 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 23.6 m-20 -72.23 -31.34 65.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 65.42 110.83 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -60.51 -28.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 72.53 110.687 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -72.27 -55.36 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.806 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.31 -29.02 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.069 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.23 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.394 . . . . 74.5 110.96 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -33.63 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 75.51 110.717 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.21 -29.77 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 72.53 111.015 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -43.56 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.787 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 109' ' ' VAL . 71.0 mt -64.13 -51.7 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.954 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.72 -37.4 63.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 63.51 111.287 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -64.1 -56.24 16.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 74.22 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 72' ' ' MET . 42.6 t -62.92 -52.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 62.24 110.975 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -65.22 -26.1 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.74 44.13 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 61.5 110.81 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -169.2 141.32 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 75.21 110.809 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.27 -28.02 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.031 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.28 84.58 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 74.13 111.217 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.479 ' CG2' ' HE3' ' A' ' 111' ' ' MET . 18.5 m -112.09 151.65 43.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.921 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.3 Cg_endo -71.26 101.1 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.45 2.1 . . . . 64.44 112.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.506 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.5 ptp -150.58 169.01 22.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 74.51 111.076 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.0 t -142.13 149.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.062 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.2 tp -111.14 115.33 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.866 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 155' ' ' ALA . 8.4 t -104.4 160.55 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 51.21 111.195 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -127.52 80.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.803 -0.713 . . . . 73.02 112.498 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.17 171.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 71.41 111.002 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.603 ' HE2' HD11 ' A' ' 120' ' ' LEU . 1.3 mtpt 62.48 62.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 72.0 111.013 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.87 -22.52 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.264 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.66 -70.99 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.859 0.361 . . . . 54.43 111.168 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.681 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -48.19 172.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 73.04 111.354 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.34 47.21 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.47 71.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.2 111.059 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.686 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.4 ptp85 -99.98 145.94 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.943 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.6 p -108.08 -48.79 3.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.639 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.56 104.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 74.12 110.913 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.85 161.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 71.32 111.067 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.39 -37.18 86.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.908 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -56.85 -49.01 76.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.898 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.02 -44.1 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 63.23 110.923 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -66.07 -36.3 82.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 53.53 111.081 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -30.94 59.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.44 110.774 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -59.55 -34.92 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 52.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.427 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.3 tp -81.17 -51.38 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.27 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.16 -31.78 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.826 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -73.0 -37.97 66.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.612 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 16.8 m-85 -70.86 -24.78 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.971 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.86 62.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 42.23 112.48 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.0 pt -111.7 157.23 40.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 73.45 111.335 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.78 155.64 65.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.578 2.185 . . . . 75.43 112.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -127.09 124.43 39.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.975 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.1 OUTLIER -127.15 164.36 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.986 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -132.2 138.9 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.716 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.6 p -146.12 -178.51 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 71.34 111.201 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -146.36 122.15 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 63.41 110.791 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.37 -8.37 56.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 75.34 111.595 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -92.16 -48.06 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.83 0.348 . . . . 74.43 110.982 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 p -95.28 -17.42 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 54.35 111.19 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 9.0 ttp180 64.23 60.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 72.21 110.779 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -110.86 123.09 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.851 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.72 18.25 45.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 74.32 112.834 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.739 HG13 HD23 ' A' ' 19' ' ' LEU . 92.0 t -57.07 -53.58 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 CA-C-O 120.857 0.361 . . . . 73.3 111.14 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 26.7 mt-10 -63.01 -27.35 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.847 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -55.97 -48.02 76.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 65.42 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.897 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.92 -40.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 54.41 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -72.85 -50.16 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 72.14 111.074 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.1 m-85 -56.11 -39.84 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.929 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.493 HG21 HD11 ' A' ' 142' ' ' ILE . 45.3 m -61.08 -35.28 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.581 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.789 HD22 HD12 ' A' ' 79' ' ' LEU . 33.4 tp -66.81 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 73.44 110.602 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.734 HG21 ' CD1' ' A' ' 46' ' ' ILE . 41.3 t -61.41 -52.6 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.004 -0.544 . . . . 34.43 111.039 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -28.36 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -73.12 -55.46 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.15 111.011 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 110' ' ' PRO . 75.4 mt -60.25 -38.16 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.365 -0.38 . . . . 53.32 111.354 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -52.59 -45.16 66.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 52.34 111.025 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -59.75 -44.76 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.222 -0.894 . . . . 63.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.793 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.801 0.334 . . . . 64.42 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.09 149.77 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 61.4 110.692 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.66 117.89 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.863 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' HG13 ' A' ' 160' ' ' VAL . 8.5 m-85 -110.41 105.46 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.91 99.18 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.42 110.65 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 6' ' ' LEU . 3.5 mm? -89.98 101.6 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 54.05 111.146 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.6 t -88.11 109.06 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.73 139.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 62.23 111.051 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -137.26 148.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.041 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.76 174.16 37.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 62.53 112.709 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.649 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -90.04 156.96 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.862 0.363 . . . . 72.32 111.164 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.0 106.1 1.02 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 41.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.58 -20.21 7.39 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.768 -0.73 . . . . 70.02 112.625 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 11' ' ' ALA . 27.8 m -54.14 -25.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 71.42 111.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.69 25.98 28.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 74.11 112.465 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HA ' HG11 ' A' ' 81' ' ' VAL . 9.5 pttt -62.04 -34.98 77.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 71.02 110.89 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -72.59 -32.7 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.19 -55.41 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 70.35 111.125 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.583 HD22 HG13 ' A' ' 152' ' ' VAL . 25.8 mt -57.17 -29.97 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.048 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 HD11 ' CZ ' ' A' ' 40' ' ' TYR . 37.9 mm -53.53 -30.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 72.12 111.282 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.698 ' CB ' HG11 ' A' ' 152' ' ' VAL . 60.9 mm-40 -60.79 -49.35 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.913 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 153' ' ' GLU . 5.7 tt -76.62 -9.0 58.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.462 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.413 HG22 ' HG3' ' A' ' 25' ' ' GLN . 24.4 mm -97.34 -72.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.726 0.298 . . . . 54.52 111.255 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' HG22 ' A' ' 24' ' ' ILE . 1.6 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 65.01 111.514 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 5.5 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.788 0.327 . . . . 63.33 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -141.1 154.73 46.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.72 148.42 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.2 110.956 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -103.55 118.72 37.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.783 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 33.7 m -130.58 -178.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 61.3 111.162 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.96 102.54 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.858 ' CD1' HG21 ' A' ' 160' ' ' VAL . 34.2 mt -111.93 135.71 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.11 110.926 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.32 17.66 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.259 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.73 -18.99 51.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.632 -0.794 . . . . 61.22 112.988 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.32 150.81 24.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 75.14 111.016 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -78.1 129.57 35.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.747 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.1 m -144.08 149.6 36.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.1 154.33 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.04 110.633 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 26.1 mt -134.31 86.13 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 73.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' OD1' HD12 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -91.6 96.76 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.86 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.0 mm -86.56 109.18 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.25 111.177 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.18 133.5 34.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 54.35 110.596 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 104.86 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.25 110.751 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 p -74.91 -173.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 61.14 111.306 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 66.5 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 63.22 110.68 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -52.1 -50.23 62.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.115 -0.493 . . . . 60.02 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -30.95 12.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.93 0.395 . . . . 54.12 110.953 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -69.43 -47.48 63.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.019 -0.537 . . . . 73.3 110.577 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.19 -21.88 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 62.32 110.972 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.814 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -73.63 -42.03 61.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.329 -0.396 . . . . 75.33 110.622 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 67.2 mtp180 -76.4 -17.04 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 75.42 111.12 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.1 p -101.01 -15.44 17.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.301 . . . . 62.41 111.029 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -94.41 162.73 24.76 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.695 -0.764 . . . . 71.45 112.808 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 1.1 mt-10 -102.97 -16.26 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.512 0.196 . . . . 63.4 111.219 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.73 -169.94 17.88 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.715 -0.755 . . . . 71.34 112.458 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.8 m-85 -153.89 137.86 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 71.12 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -122.14 123.0 40.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.684 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.8 m -96.02 119.86 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.989 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 16' ' ' LYS . 49.1 t -112.36 116.93 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 71.32 110.981 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.9 p90 -134.78 146.06 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 74.32 110.907 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.73 123.89 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.984 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.1 pt -58.03 -27.46 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.231 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 4.8 p-10 -75.08 -25.41 58.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 72.3 111.009 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -106.59 113.68 27.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 71.15 110.985 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.5 m -72.45 -26.6 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.23 111.098 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.693 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.591 ' HB3' HG12 ' A' ' 14' ' ' VAL . 6.3 m -60.29 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.767 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CE1' HD22 ' A' ' 133' ' ' LEU . 63.0 t80 -59.48 -29.02 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 70.42 110.849 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.58 -41.44 72.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.999 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.44 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 8.0 m-20 -60.47 -34.52 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.949 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.5 mm -59.89 -25.9 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.45 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -77.54 -55.45 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 65.11 110.831 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -64.42 -30.6 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 73.5 111.086 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 4.5 m-85 -59.88 -39.51 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 75.1 110.78 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -37.64 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 73.44 110.772 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.93 -38.65 83.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 71.11 111.065 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.29 -44.55 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.023 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.726 HD13 ' HE3' ' A' ' 111' ' ' MET . 23.8 mt -63.07 -48.37 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.105 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -35.61 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 62.41 111.115 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -58.86 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.662 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 72' ' ' MET . 45.2 t -57.45 -64.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.178 0.513 . . . . 72.1 110.968 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -58.74 -26.54 64.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 75.32 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.47 53.57 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 74.42 110.739 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.85 141.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.543 . . . . 45.02 110.884 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.47 -31.38 62.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.751 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -84.9 95.43 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 52.14 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 110' ' ' PRO . 50.6 t -133.16 136.55 27.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.726 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 109' ' ' VAL . 59.7 Cg_endo -72.93 100.97 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.871 2.381 . . . . 70.52 112.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.772 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -144.26 162.03 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 71.54 110.921 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.629 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -142.96 146.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 74.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -107.49 113.54 26.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 75.23 110.741 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.72 HG22 ' HB1' ' A' ' 155' ' ' ALA . 16.3 t -100.67 146.57 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.249 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.69 91.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.428 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.78 155.79 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 53.34 111.053 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.2 mttt 59.8 75.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 75.25 111.048 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.0 t -99.25 -20.78 16.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 62.45 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.94 -23.72 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.446 -0.343 . . . . 73.22 111.271 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.67 139.94 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 75.13 111.175 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.72 26.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.245 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.64 69.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 73.54 110.866 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -86.2 114.51 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 74.35 110.837 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.4 p -88.46 -49.8 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 71.31 110.651 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.8 t -87.59 96.43 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 62.41 110.842 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -54.33 157.25 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 52.54 111.048 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.9 m -57.68 -29.39 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.53 111.044 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -58.32 -47.9 82.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 64.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -41.1 88.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.29 72.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.32 111.115 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -40.82 27.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 62.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.23 -33.41 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.15 110.829 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 90' ' ' PHE . 22.6 tp -77.34 -51.42 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.54 84.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.52 111.081 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -58.0 -30.26 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.888 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -73.3 -36.7 66.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.734 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -74.11 -21.72 59.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.048 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.97 61.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 65.11 112.397 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 111' ' ' MET . 5.4 pt -110.0 156.94 39.14 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.293 . . . . 75.43 111.373 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.8 Cg_endo -70.84 159.69 51.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 71.13 112.418 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -134.19 118.13 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.809 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -120.71 150.62 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.896 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.06 131.17 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 63.22 110.86 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 49.4 p -138.77 159.54 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 70.11 111.153 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 p -131.09 120.96 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 54.24 110.846 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.72 -13.66 60.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 64.55 111.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -92.55 -50.65 5.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 64.24 111.294 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 p -88.25 -21.17 24.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 54.44 111.363 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.73 69.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.987 0.422 . . . . 73.53 110.55 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -125.33 116.09 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 75.44 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 66.59 14.24 62.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 54.03 112.836 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.698 HG11 ' CB ' ' A' ' 22' ' ' GLN . 36.2 t -52.37 -55.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 73.45 111.202 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 23' ' ' LEU . 60.5 mt-10 -66.93 -26.8 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 54.52 110.914 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.05 -51.63 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.97 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.72 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.07 -43.56 82.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.095 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.495 ' CB ' HD13 ' A' ' 23' ' ' LEU . 35.5 m-85 -65.11 -49.83 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.871 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.1 -31.01 60.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.827 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.958 HG21 HD11 ' A' ' 142' ' ' ILE . 4.9 m -57.17 -40.45 77.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 55.01 110.854 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -57.01 -48.05 79.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.696 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.858 HG21 ' CD1' ' A' ' 46' ' ' ILE . 33.4 t -52.71 -38.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.114 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -33.18 67.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 54.22 110.858 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -68.21 -44.4 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.81 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.462 HG13 HD13 ' A' ' 159' ' ' LEU . 37.8 mt -61.31 -45.65 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.017 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -60.26 -34.75 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 72.41 110.8 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -97.46 25.89 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.35 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.235 -0.888 . . . . 63.44 110.978 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.634 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.886 0.374 . . . . 53.24 111.299 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.33 140.44 31.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.56 . . . . 52.32 110.841 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.18 141.53 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 65.33 110.637 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -135.34 148.1 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.12 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 2.6 mmtm -115.4 117.0 29.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 63.22 110.801 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.77 ' HB2' HD13 ' A' ' 55' ' ' ILE . 2.0 mm? -112.87 95.13 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 45.52 110.874 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 92.3 t -84.55 102.22 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 65.03 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.98 138.55 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 74.31 111.044 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.36 150.21 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 72.34 111.011 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.94 176.31 30.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.469 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -82.79 161.82 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 51.05 111.092 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.19 -19.54 61.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.785 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.61 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 73.1 112.752 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 11' ' ' ALA . 24.0 m -115.48 -34.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 73.31 111.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.49 23.82 8.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 70.0 112.483 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -43.53 98.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 73.54 110.949 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 p -66.82 -32.82 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 53.14 110.823 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -65.42 -48.75 71.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.875 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 152' ' ' VAL . 91.2 mt -65.53 -28.6 69.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.856 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 55' ' ' ILE . 91.9 m -58.75 -55.76 30.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 70.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -30.14 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.772 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -62.76 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 70.24 110.753 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -76.59 -7.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 63.23 111.317 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 42' ' ' LYS . 27.4 mm -105.84 -70.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 72.43 111.204 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.406 -179.703 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.758 0.314 . . . . 74.41 110.765 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -146.2 143.63 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' HD13 ' A' ' 24' ' ' ILE . 9.8 tptt -151.91 147.59 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 60.13 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.8 117.79 33.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.821 -0.627 . . . . 72.23 110.519 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 53' ' ' LEU . 26.0 m -138.94 -178.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 63.11 111.372 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.7 p -126.41 103.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.989 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -88.4 111.55 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.115 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 59.28 40.86 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.5 22.5 77.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 61.52 112.633 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -130.35 107.12 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 75.51 110.806 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -60.0 122.78 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 52.5 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.7 m -145.95 145.15 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 51.11 110.704 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.42 143.43 36.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.812 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 44' ' ' VAL . 42.0 mt -122.41 108.87 13.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.665 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 93.37 6.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.027 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' A' ' 6' ' ' LEU . 47.9 mm -78.08 113.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.734 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.034 HD21 ' CD1' ' A' ' 71' ' ' TYR . 2.5 tp -88.41 119.03 28.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.866 -0.607 . . . . 70.0 111.006 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.63 ' N ' HD12 ' A' ' 56' ' ' LEU . 3.4 t0 -110.13 108.2 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 75.35 110.773 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -98.38 -173.76 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.15 110.809 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 64.21 111.098 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 4.9 mtp . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.606 0.241 . . . . 63.32 110.996 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -49.27 -31.08 8.23 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.051 0.453 . . . . 72.14 110.322 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -33.63 67.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.811 -0.631 . . . . 73.2 110.184 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 67' ' ' MET . 4.0 tp60 -57.45 -48.48 79.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.778 -0.646 . . . . 72.33 110.243 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 1.034 ' CD1' HD21 ' A' ' 56' ' ' LEU . 23.5 m-85 -51.67 -33.75 35.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 75.24 111.486 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.712 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.3 mtt -73.63 -39.19 64.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.055 0.455 . . . . 71.41 110.151 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.0 mtm180 -81.12 -15.39 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 74.24 111.402 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 70' ' ' GLN . 80.5 p -100.24 -15.36 18.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 53.14 111.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -100.0 159.23 19.54 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.586 -0.816 . . . . 61.03 113.441 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -105.97 -13.42 15.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 73.11 110.828 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.458 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.96 170.02 31.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.887 -0.673 . . . . 70.41 112.089 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CE2' HG23 ' A' ' 100' ' ' ILE . 69.5 m-85 -138.39 140.6 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 73.3 111.283 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.4 121.16 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.22 110.756 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 18.6 m -97.99 115.98 29.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.31 122.05 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.056 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD11 ' A' ' 113' ' ' LEU . 17.1 p90 -136.04 141.92 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.823 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.25 123.78 32.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 73.35 111.044 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.909 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.5 pt -56.34 -31.58 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 64.12 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.9 -24.47 65.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 62.23 111.012 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -113.22 103.49 11.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.389 . . . . 72.1 110.886 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.691 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.5 -23.59 67.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.027 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -44.37 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 62.31 110.743 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 13.3 m -56.96 -36.75 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 51.02 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.93 -29.06 69.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.51 110.877 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.0 -31.55 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.3 m-20 -72.23 -31.48 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.1 mm -61.34 -28.35 43.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.23 110.969 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -73.18 -55.44 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.14 -28.69 68.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.079 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -58.35 -42.23 86.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 72.1 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.425 HH12 HG22 ' A' ' 93' ' ' ILE . 2.1 ttm105 -65.22 -34.05 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 54.51 110.741 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.2 -45.26 91.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.68 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -40.2 95.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 71.43 110.583 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.692 HG23 ' CE2' ' A' ' 78' ' ' PHE . 83.5 mt -62.08 -53.18 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 51.32 111.06 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.79 -35.6 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.228 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -61.4 -59.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 70.21 111.024 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.712 HG11 ' HB2' ' A' ' 72' ' ' MET . 27.5 t -62.69 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 5.0 mmmt -59.18 -28.06 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 73.31 111.019 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t0 62.44 50.97 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.706 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.43 140.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 74.31 110.811 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -75.19 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 65.13 111.0 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -90.55 89.38 7.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.126 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.687 HG23 ' SD ' ' A' ' 111' ' ' MET . 0.0 OUTLIER -121.65 152.79 59.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 53.01 110.947 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HB2' HG12 ' A' ' 163' ' ' ILE . 59.9 Cg_endo -71.93 108.48 2.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.646 2.23 . . . . 64.32 112.524 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.791 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -158.92 165.96 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.724 179.704 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.6 t -144.2 151.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.348 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tp -111.86 114.01 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 71.14 110.926 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.726 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 15.8 t -102.17 144.46 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.136 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 84.84 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 74.31 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.653 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.2 t-20 -64.38 169.44 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 75.31 110.922 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' A' ' 120' ' ' LEU . 11.0 mttt 61.08 51.71 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 t -87.19 -13.51 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 64.33 111.286 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -91.05 -18.05 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.507 -0.315 . . . . 73.22 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 117' ' ' LYS . 4.1 mm? -48.46 158.78 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 72.52 111.24 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.24 41.3 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.149 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.71 56.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 55.32 111.037 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.909 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.2 ptm180 -68.78 126.25 29.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.041 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.6 p -94.04 -26.18 16.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.583 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.691 HG22 HG23 ' A' ' 87' ' ' THR . 57.4 t -119.06 98.67 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.119 -0.491 . . . . 51.25 110.907 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.68 161.09 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 74.51 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.2 p -56.57 -29.93 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 64.31 110.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -59.82 -46.33 89.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.797 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.37 -36.85 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.84 56.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 62.44 111.162 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -33.27 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 75.3 110.943 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.4 -36.18 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.442 HD11 ' OH ' ' A' ' 137' ' ' TYR . 27.9 tp -78.25 -51.53 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.0 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.13 111.113 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -64.73 -23.52 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.086 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.4 t -77.97 -41.39 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 53.43 110.715 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -74.75 -19.93 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 74.31 111.012 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.96 17.63 62.8 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.416 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.791 HG21 ' HG2' ' A' ' 111' ' ' MET . 7.5 pt -107.71 156.83 37.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 62.2 111.485 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.613 ' HG2' HG13 ' A' ' 112' ' ' VAL . 60.2 Cg_endo -73.02 154.28 52.65 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 73.35 112.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -126.36 118.4 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -117.88 157.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.028 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.4 mt-10 -121.56 131.39 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.859 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.2 p -141.65 179.4 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 73.41 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -147.14 117.94 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.838 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -67.55 -22.65 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.39 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -83.41 -61.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 75.21 111.142 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -19.66 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.4 111.364 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.85 63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 74.21 110.657 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -114.23 120.38 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.85 28.06 51.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.803 -0.713 . . . . 73.04 112.677 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD22 ' A' ' 19' ' ' LEU . 26.3 t -57.46 -55.87 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.33 111.06 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.5 mt-10 -66.82 -28.29 68.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.829 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -34.01 63.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.726 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -75.65 -40.08 56.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.913 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 23' ' ' LEU . 25.8 m-85 -68.76 -50.47 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.82 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.6 m-85 -54.68 -33.45 60.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 65.35 111.064 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.9 HG21 HD11 ' A' ' 142' ' ' ILE . 84.8 m -58.44 -34.62 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 62.43 110.905 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.691 HD23 HD12 ' A' ' 6' ' ' LEU . 23.8 tp -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.52 110.789 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.73 -48.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.952 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -66.4 -28.99 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.801 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.56 -54.85 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.783 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.458 HD11 ' HA3' ' A' ' 77' ' ' GLY . 69.8 mt -59.15 -52.03 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.303 -0.408 . . . . 64.51 111.048 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -48.1 -33.85 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.989 -0.55 . . . . 73.15 110.981 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -31.98 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.839 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.215 -0.898 . . . . 72.44 110.873 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.116 0.484 . . . . 75.41 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -101.06 148.48 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.643 -0.708 . . . . 74.35 110.542 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD13 ' A' ' 52' ' ' LEU . 1.4 mt-10 -109.49 118.33 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.926 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.409 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.2 m-85 -108.03 123.92 49.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 63.43 110.929 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -101.25 119.47 38.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.781 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 159' ' ' LEU . 10.8 mt -113.7 119.0 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.095 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.455 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 40.7 t -87.37 102.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.55 111.04 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG21 HG22 ' A' ' 55' ' ' ILE . 21.8 t -79.37 124.78 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.51 111.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.5 m -135.51 149.52 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 71.13 111.048 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 63.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 72.02 112.631 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.75 -169.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 74.53 111.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.96 43.14 1.61 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 54.22 112.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.5 36.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 45.42 112.441 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' A' ' 89' ' ' SER . 14.5 m -110.82 -26.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 72.31 111.354 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.37 18.56 6.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 61.22 112.685 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -36.61 80.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 74.55 110.722 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -43.17 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.709 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.75 80.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HG13 ' A' ' 152' ' ' VAL . 42.8 mt -66.03 -31.75 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 m -67.57 -52.12 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.33 -29.0 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.792 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -67.33 -42.6 83.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 60.31 110.604 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 156' ' ' PHE . 54.9 tp -76.62 -7.62 55.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 75.22 111.228 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.41 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.3 mm -111.94 -69.25 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 74.01 111.298 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.04 111.385 -179.542 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 74.42 110.746 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -97.52 135.96 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.965 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' HD13 ' A' ' 24' ' ' ILE . 21.1 tttm -148.91 151.03 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.35 110.786 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -109.33 120.64 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.727 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 27.4 m -133.85 176.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.23 111.267 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.99 102.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.004 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.4 mt -127.28 138.2 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.026 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.54 29.33 15.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 54.11 110.935 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.94 27.0 67.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.4 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -145.47 105.99 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 71.14 110.851 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -55.64 129.64 39.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.8 m -146.74 156.27 43.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 61.03 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.448 HD13 ' HG3' ' A' ' 3' ' ' GLU . 1.8 mt -84.71 145.15 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 65.24 110.716 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.655 HD11 HG21 ' A' ' 44' ' ' VAL . 53.5 mt -115.22 93.34 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.061 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -86.19 99.44 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.808 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.544 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.7 mm -91.25 110.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 63.4 111.078 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 7' ' ' VAL . 8.6 tp -79.8 120.84 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.997 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.0 t70 -118.58 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 10.5 p -80.48 -175.95 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.046 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 45.44 111.056 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.604 0.24 . . . . 62.24 111.09 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.27 -48.29 79.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.992 0.425 . . . . 72.03 109.944 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -30.4 64.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 73.23 110.113 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -79.54 -41.27 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 70.43 110.424 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 20.4 m-30 -58.47 -42.3 87.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 65.04 110.573 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -70.7 -37.03 73.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 54.24 110.021 179.215 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 67.6 mtp180 -77.38 -14.51 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 65.24 110.969 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' GLN . 50.8 p -98.83 -21.92 16.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.318 -0.401 . . . . 52.51 110.442 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -98.49 159.15 20.44 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.757 -0.735 . . . . 61.33 113.065 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.2 mm-40 -102.16 -16.28 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 34.31 110.877 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.39 167.05 30.21 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.021 -0.609 . . . . 32.32 112.15 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 104' ' ' LYS . 3.1 m-85 -136.58 148.13 47.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 72.02 111.147 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.53 115.93 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.41 110.873 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 93' ' ' ILE . 35.0 m -90.69 104.02 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.953 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 9' ' ' VAL . 7.5 p -115.52 134.86 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.54 110.982 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 113' ' ' LEU . 4.5 p90 -147.64 153.8 39.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 60.33 110.791 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.67 125.21 35.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.132 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.5 pt -61.9 -27.6 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.236 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.463 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 2.9 p-10 -71.17 -23.62 62.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -113.22 119.62 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 75.43 110.86 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.9 m -69.02 -33.59 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.91 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -56.54 -44.4 80.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 74.33 110.913 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.528 ' HB3' HG12 ' A' ' 14' ' ' VAL . 82.1 p -59.49 -37.63 78.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 72.51 110.905 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 23.6 t80 -68.17 -36.85 80.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -27.12 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 53.45 111.109 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -69.41 -37.29 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 65.41 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.785 HG23 ' HB3' ' A' ' 80' ' ' CYS . 24.9 mm -59.85 -27.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 74.22 111.035 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.24 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 62.2 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.12 -28.05 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 75.12 110.984 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -33.93 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.922 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.77 -34.19 76.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.83 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -44.55 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.814 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -68.5 -43.79 83.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.975 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -35.42 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 52.21 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -69.87 -58.93 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.2 111.182 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 42.8 t -56.24 -52.21 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 71.23 111.104 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.757 ' HG3' HG11 ' A' ' 109' ' ' VAL . 13.4 mmtm -66.38 -26.61 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.95 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t0 68.54 38.76 2.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 74.43 110.78 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -176.02 164.02 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.842 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -104.54 18.22 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 34.55 111.261 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -126.62 82.0 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 54.12 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 104' ' ' LYS . 33.2 m -130.24 154.34 81.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.252 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.454 ' HB2' HG12 ' A' ' 163' ' ' ILE . 55.6 Cg_endo -70.33 106.59 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.601 2.201 . . . . 63.55 112.284 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.715 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.5 ptp -149.93 171.59 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 75.45 110.94 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.9 t -144.07 160.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.03 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.81 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.8 tp -125.48 106.48 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.805 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 19.9 t -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 61.12 111.357 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.64 87.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 65.13 112.275 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.98 169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.38 . . . . 74.53 111.06 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp 61.03 59.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.962 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.8 t -102.24 4.86 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 53.22 111.352 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.93 -28.41 8.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.729 0.299 . . . . 74.11 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 120' ' ' LEU . 14.9 mt -53.52 153.68 4.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 70.11 111.094 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.84 31.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 54.11 111.138 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.86 79.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.068 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.74 112.26 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.714 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.7 p -86.17 -49.85 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.674 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.47 101.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.828 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 161.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.14 111.078 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 m -62.02 -40.84 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 63.53 111.045 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -55.93 -46.35 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.995 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -61.02 -41.63 96.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.14 111.009 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -71.04 -33.48 70.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 52.43 111.154 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -33.13 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.12 110.884 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.78 -45.98 85.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.74 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.4 tm? -69.82 -51.86 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 64.43 111.013 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.81 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -54.91 -47.87 73.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.907 -0.588 . . . . 63.23 111.207 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -59.95 -29.16 68.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.02 111.039 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.0 t -77.95 -21.56 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 54.21 110.944 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.74 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.1 m-30 -88.65 -22.3 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.212 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.55 16.66 65.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 64.5 112.555 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.715 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.5 pt -112.09 157.17 40.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.74 0.305 . . . . 64.53 111.361 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.531 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.7 Cg_endo -71.75 149.11 53.84 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 72.3 112.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -119.43 116.96 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 75.14 110.489 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 158' ' ' THR . 2.4 mp -117.66 152.62 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.099 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.71 129.68 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.53 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 151' ' ' GLY . 45.2 p -138.97 169.5 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.081 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.08 121.3 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.833 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.37 -6.43 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 54.22 111.668 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.51 -47.23 6.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 71.13 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -95.3 -14.87 23.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.418 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.38 61.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 73.12 110.65 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.35 118.62 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 61.43 110.997 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.22 13.96 58.69 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.805 -0.712 . . . . 73.13 112.958 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.699 HG13 ' CD2' ' A' ' 19' ' ' LEU . 46.4 t -53.25 -60.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 63.03 111.344 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -62.03 -34.39 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 65.41 110.833 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.38 -34.74 49.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.948 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.65 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -74.76 -44.6 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 75.03 111.012 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 23' ' ' LEU . 53.6 m-85 -63.56 -51.02 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 64.4 111.008 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.64 -30.14 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.199 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.757 HG21 HD11 ' A' ' 142' ' ' ILE . 59.9 m -58.79 -32.77 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 55.4 111.048 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.618 ' CD2' HD22 ' A' ' 6' ' ' LEU . 27.9 tp -73.11 -40.94 64.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.3 t -54.22 -44.9 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 41.24 111.279 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -39.74 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 64.02 110.977 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.73 -54.84 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.42 110.973 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 110' ' ' PRO . 46.5 mt -56.35 -42.87 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.322 -0.399 . . . . 75.01 111.159 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -56.73 -47.08 80.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.981 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.61 -44.34 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.3 110.841 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.226 -0.892 . . . . 71.45 110.842 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.763 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.799 0.333 . . . . 74.43 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.45 149.8 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.693 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.12 109.32 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 55.21 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -97.06 113.45 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.95 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.05 99.92 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 53.51 110.819 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 159' ' ' LEU . 4.2 mm? -89.48 95.15 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 60.14 110.71 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 56' ' ' LEU . 11.7 t -84.23 102.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 64.1 111.09 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.09 112.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 63.43 111.298 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.66 -175.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 71.22 111.056 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 126.9 163.01 11.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 60.42 112.487 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.673 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -62.22 166.16 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 63.41 111.105 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.51 -10.94 55.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.848 -0.691 . . . . 71.0 112.916 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.99 57.08 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.554 -0.831 . . . . 54.32 112.642 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 89' ' ' SER . 33.3 m -120.3 -5.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.786 0.291 . . . . 75.21 111.786 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.23 21.85 69.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 41.13 112.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.15 75.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 71.41 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -25.88 62.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.205 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -59.06 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 41.45 111.357 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' CZ ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -56.68 -28.98 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.263 -179.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.438 HG23 HG21 ' A' ' 55' ' ' ILE . 30.6 m -54.42 -46.84 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 24.3 111.187 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.452 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.7 mp -75.14 -32.78 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.346 -0.388 . . . . 74.33 110.747 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -59.19 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.53 110.638 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -60.25 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.35 110.614 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.6 -60.46 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 61.11 110.999 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 . . . . . 0 CA--C 1.539 0.521 0 CA-C-N 116.198 -0.455 . . . . 71.15 110.27 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 63.12 110.737 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -147.54 129.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.915 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -124.89 147.27 48.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.31 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG3' HD22 ' A' ' 52' ' ' LEU . 10.8 tt0 -95.35 120.72 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.813 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 53' ' ' LEU . 34.4 m -129.76 176.86 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.19 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.78 102.28 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.994 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.636 HG21 HG11 ' A' ' 160' ' ' VAL . 44.1 mt -116.24 139.63 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.045 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.62 16.66 10.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 63.0 111.241 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.37 51.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 72.32 112.956 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -107.21 147.99 29.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 60.45 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.2 m -72.98 129.21 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 73.04 110.752 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.9 m -144.69 146.91 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.931 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.763 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.5 155.62 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 75.51 110.807 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 44' ' ' VAL . 33.7 mt -126.56 81.55 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.029 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.26 99.89 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.681 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 6' ' ' LEU . 17.0 mm -87.34 109.19 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.447 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -92.58 100.78 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 53.35 110.657 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.51 104.41 16.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.98 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HD11 ' A' ' 56' ' ' LEU . 27.4 p -75.41 -174.15 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.617 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.336 -0.393 . . . . 74.44 111.229 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 6.1 ptp . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.736 0.303 . . . . 71.23 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -51.05 -51.12 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.63 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.272 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.92 ' O ' HG23 ' A' ' 74' ' ' THR . 1.9 tp60 -67.83 -48.92 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 75.22 110.487 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 67' ' ' MET . 22.0 m-85 -51.53 -37.13 47.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 70.42 111.319 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.782 ' HB2' HG11 ' A' ' 103' ' ' VAL . 2.4 mtt -67.44 -46.48 72.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.41 -0.589 . . . . 72.42 109.41 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.7 mtp180 -72.12 -10.14 59.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.511 -0.768 . . . . 71.33 111.195 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.92 HG23 ' O ' ' A' ' 70' ' ' GLN . 45.3 p -99.02 -23.28 15.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 73.31 110.832 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -104.77 166.35 14.84 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.573 -0.822 . . . . 54.41 113.664 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 0.7 OUTLIER -112.11 -13.12 13.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.352 . . . . 74.3 110.876 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.3 151.11 22.84 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.796 -0.716 . . . . 54.44 112.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.86 155.7 37.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 73.33 111.17 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 116.89 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 71.44 110.8 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.845 ' HB3' HD12 ' A' ' 93' ' ' ILE . 63.8 m -90.66 110.92 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 71.24 110.969 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 116' ' ' ASN . 74.5 t -107.58 111.46 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 64.42 111.039 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.12 144.81 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.637 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.65 33.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 74.23 110.968 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.1 pt -61.25 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.22 111.002 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.83 -28.51 30.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.881 -0.6 . . . . 72.22 110.732 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.02 106.48 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.795 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 125' ' ' VAL . 1.8 m -67.38 -27.4 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.075 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -62.1 -45.43 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 75.12 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.697 ' CB ' HG12 ' A' ' 14' ' ' VAL . 93.8 p -53.84 -43.96 69.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 64.22 110.887 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 20.8 t80 -59.84 -27.82 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.712 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.96 -29.83 55.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 63.04 111.073 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.23 -33.06 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 75.11 111.084 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 ' HB3' ' A' ' 80' ' ' CYS . 20.4 mm -60.94 -31.66 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -69.63 -55.35 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.24 110.722 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.67 -28.35 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 65.14 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.2 m-85 -58.54 -48.78 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.99 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -55.44 -30.71 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.126 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.71 -41.05 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 54.31 110.839 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -24.31 62.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.039 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.674 HG21 ' HE2' ' A' ' 111' ' ' MET . 6.6 mm -74.99 -44.31 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 55.53 111.135 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -59.85 -32.79 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 72.25 111.179 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -59.11 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.354 . . . . 72.24 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 72' ' ' MET . 46.7 t -62.05 -52.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 74.22 110.823 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -26.67 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 73.51 110.805 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.3 t0 62.42 50.15 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 72.14 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 176.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.71 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -79.3 81.14 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.23 111.007 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.51 144.05 32.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.979 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 53.4 Cg_endo -68.76 100.93 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 70.22 112.503 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.674 ' HE2' HG21 ' A' ' 100' ' ' ILE . 3.2 ttm -134.42 173.31 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.935 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 159' ' ' LEU . 16.3 t -146.92 153.81 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 62.21 111.128 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.8 tp -128.84 112.2 13.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.15 110.817 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.2 t -109.18 154.75 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 75.3 111.336 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -108.43 78.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 75.51 112.319 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.423 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 4.2 t-20 -55.76 156.75 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 71.42 110.982 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.8 mttp 63.04 57.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 72.22 110.943 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 t -91.8 -22.32 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 62.31 111.068 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -77.91 -25.23 48.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.359 . . . . 74.41 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 117' ' ' LYS . 21.0 mt -51.21 166.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 73.35 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -121.44 27.19 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 72.3 111.338 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.56 73.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 55.04 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptm180 -90.41 139.66 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 72.33 110.893 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -110.28 -24.67 10.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 44.45 110.686 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 87' ' ' THR . 21.6 t -111.84 104.28 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.104 -0.498 . . . . 70.52 111.088 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.04 161.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 55.32 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.3 p -63.05 -35.65 80.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 72.14 111.053 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.48 -48.59 80.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.65 -40.91 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.06 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.34 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.1 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -29.22 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.13 -36.0 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 74.22 110.955 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.437 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 15.5 tp -81.15 -50.91 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.823 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.27 -44.29 88.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.197 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -56.72 -41.57 77.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.3 t -75.35 -33.77 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.753 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 m-30 -69.3 -24.79 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 71.13 111.037 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.19 12.66 59.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.65 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.414 HG21 ' HB3' ' A' ' 111' ' ' MET . 11.2 pt -112.3 151.59 43.85 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 55.32 111.379 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.55 160.34 50.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.54 2.16 . . . . 61.25 112.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -124.9 118.93 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.752 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 1.045 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -121.9 160.33 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 74.21 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 142' ' ' ILE . 26.4 mt-10 -120.08 133.12 55.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 64.24 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.1 p -145.54 171.37 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 62.42 111.109 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.18 117.18 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 74.31 110.702 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.45 -23.36 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.466 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -66.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 73.05 111.2 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.3 p -80.95 -13.91 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.574 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 152' ' ' VAL . 1.4 ttt-85 62.59 57.3 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 71.51 110.613 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -108.35 130.06 55.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 70.34 110.911 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.525 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.14 21.38 46.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 64.31 112.814 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.49 HG21 ' HG3' ' A' ' 149' ' ' ARG . 25.8 t -57.58 -58.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 64.34 111.031 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -62.98 -31.3 72.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.769 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -54.03 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.34 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -60.78 -48.08 83.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.003 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.629 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 20.4 m-85 -57.71 -51.61 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 64.13 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.56 -25.68 60.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 72.22 111.12 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 1.045 HG21 HD11 ' A' ' 142' ' ' ILE . 2.0 m -57.12 -50.19 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 65.5 111.196 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 6' ' ' LEU . 19.1 tp -59.01 -34.38 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 65.52 111.028 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.636 HG11 HG21 ' A' ' 46' ' ' ILE . 53.3 t -56.4 -50.2 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.35 . . . . 43.32 111.013 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.95 -28.74 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.881 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.8 -50.72 27.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.079 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.401 HD11 ' HG ' ' A' ' 159' ' ' LEU . 68.1 mt -60.15 -36.41 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.274 -0.421 . . . . 74.25 111.189 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -65.47 -21.64 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 74.41 111.143 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.87 26.22 4.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.824 0.345 . . . . 61.34 111.156 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.223 -0.894 . . . . 64.34 110.925 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.879 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.039 0.447 . . . . 72.42 111.34 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.402 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -77.8 146.69 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.737 -0.665 . . . . 73.35 110.819 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -98.11 126.47 43.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.661 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.402 ' CZ ' HG21 ' A' ' 2' ' ' THR . 33.7 m-85 -118.96 125.07 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.114 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.38 106.36 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.673 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 159' ' ' LEU . 41.0 mt -97.49 108.51 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.053 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.19 102.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.45 110.952 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -83.61 139.62 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.25 111.192 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.3 m -137.93 157.02 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 74.02 110.938 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.89 176.99 47.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 24.13 112.585 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.17 25.0 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 75.41 111.228 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -78.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.66 -0.781 . . . . 74.23 112.55 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.52 -23.71 36.34 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.83 -0.7 . . . . 62.5 112.735 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG12 ' HB2' ' A' ' 89' ' ' SER . 16.1 m -53.74 -39.11 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 61.34 111.322 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.39 50.87 1.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 73.11 112.611 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -77.16 -30.56 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 73.54 110.884 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -32.44 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 146' ' ' ALA . . . -53.8 -53.02 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 62.44 111.219 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 HG13 ' A' ' 152' ' ' VAL . 38.5 mt -62.56 -38.11 88.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.836 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.724 HG23 ' CG2' ' A' ' 55' ' ' ILE . 91.9 m -62.93 -58.21 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.817 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.52 -29.32 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.793 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -71.23 -44.51 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 60.13 110.751 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 156' ' ' PHE . 1.3 tt -76.79 -4.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.413 HG21 ' CD2' ' A' ' 40' ' ' TYR . 26.2 mm -118.1 -69.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.803 0.335 . . . . 75.13 111.221 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.102 -179.765 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' HG21 ' A' ' 24' ' ' ILE . 5.8 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 64.13 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -143.16 106.42 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.837 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -112.36 145.89 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.964 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -104.88 132.08 51.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 70.25 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.73 174.93 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.66 100.8 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.5 mt -114.66 138.44 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.021 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t0 63.6 17.69 10.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 53.15 111.23 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.15 40.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 63.13 112.858 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -102.21 155.17 18.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.2 111.1 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.0 m -92.12 131.44 37.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.702 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.8 m -146.8 146.64 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 63.31 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.879 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.96 146.96 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.643 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 mt -118.33 109.02 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 72.15 110.84 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.46 90.79 3.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.151 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.724 ' CG2' HG23 ' A' ' 20' ' ' THR . 1.6 mp -79.87 116.09 23.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 62.45 110.718 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.923 HD21 ' CD1' ' A' ' 71' ' ' TYR . 16.6 tp -83.15 126.77 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.034 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -112.14 78.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 61.52 110.931 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.406 HG23 ' HG ' ' A' ' 56' ' ' LEU . 13.8 p -80.42 -173.76 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 53.4 110.937 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 55.42 111.344 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.423 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 121.012 0.434 . . . . 75.34 110.8 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -54.59 -44.72 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 74.23 111.326 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.06 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 72.35 111.133 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' THR . 13.2 tp60 -75.5 -37.22 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.176 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.923 ' CD1' HD21 ' A' ' 56' ' ' LEU . 25.6 m-85 -59.0 -37.44 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.374 -0.375 . . . . 74.33 111.154 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.625 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mtt -67.86 -35.81 79.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 63.2 110.305 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -81.48 -15.21 55.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.648 . . . . 75.02 111.236 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -104.72 -5.33 21.4 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.456 -0.338 . . . . 72.53 111.577 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.46 160.64 13.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.442 -0.885 . . . . 72.41 112.995 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -103.75 -15.59 15.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.669 0.271 . . . . 70.41 111.071 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.11 174.11 28.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 30.32 112.526 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 63.6 m-85 -143.83 136.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 75.31 111.077 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.05 116.62 27.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 72.24 110.754 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' HD12 ' A' ' 93' ' ' ILE . 1.3 m -97.49 123.41 41.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 63.21 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HD11 ' A' ' 93' ' ' ILE . 22.6 m -105.21 131.19 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.987 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -128.11 128.82 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.765 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.9 123.72 34.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.96 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.809 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.7 pt -64.74 -22.04 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 42.2 111.204 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.88 8.1 30.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 64.43 111.245 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -138.38 107.39 6.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.836 0.35 . . . . 62.51 110.919 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.448 ' HA ' HG21 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -61.45 -30.71 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.21 110.831 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -67.07 -39.0 86.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.857 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.579 ' HB2' HG12 ' A' ' 14' ' ' VAL . 64.6 p -59.12 -40.37 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 60.33 110.667 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 11.8 t80 -63.43 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.741 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.92 -26.67 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.026 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -70.54 -33.78 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 73.42 110.981 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.828 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.3 mm -60.7 -30.46 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 62.4 110.863 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.97 -55.43 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.854 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.54 -31.44 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.051 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.6 m-85 -61.05 -48.13 83.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 74.25 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.91 -35.34 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.98 -27.02 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 61.04 111.008 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 72' ' ' MET . 2.7 tp60 -77.35 -34.9 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.498 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' HE1' ' A' ' 111' ' ' MET . 59.9 mt -68.9 -46.54 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.011 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -59.24 -26.74 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 71.45 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -67.47 -58.9 3.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 73.43 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.625 HG11 ' HB2' ' A' ' 72' ' ' MET . 22.0 t -61.37 -54.72 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 70.22 111.14 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.7 47.91 2.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.4 152.79 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.817 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -90.64 -36.13 14.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 70.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.16 82.11 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.933 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.04 151.95 45.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 74.1 111.026 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.16 104.23 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.568 2.179 . . . . 74.03 112.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.72 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.3 ptp -152.88 168.19 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.843 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.0 t -143.04 149.74 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.15 111.209 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -107.76 107.05 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.84 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.863 HG21 HD21 ' A' ' 79' ' ' LEU . 19.9 t -101.23 139.15 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.264 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.99 97.49 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.764 -0.731 . . . . 64.11 112.477 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -76.56 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 75.55 110.95 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 120' ' ' LEU . 8.4 mtpt 62.4 69.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 65.34 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.3 t -108.45 -22.26 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.099 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.13 -24.97 32.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 74.43 111.181 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 117' ' ' LYS . 11.9 mt -50.59 161.99 0.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 74.3 111.057 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.63 29.87 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 64.32 111.304 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.36 57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 73.25 111.192 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.809 ' CB ' HD12 ' A' ' 84' ' ' ILE . 8.1 ptp85 -83.52 138.3 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 63.23 111.049 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.1 p -106.28 -48.73 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 55.44 110.769 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 87' ' ' THR . 58.2 t -100.21 104.46 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.963 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.6 155.4 12.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.945 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.9 m -57.0 -29.8 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 63.15 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -58.77 -39.94 82.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 60.43 110.844 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.29 -34.71 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.437 ' HB2' ' CE2' ' A' ' 82' ' ' PHE . . . -79.86 -35.69 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 35.13 111.085 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -41.78 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.958 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.57 -42.79 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.702 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.2 tm? -66.95 -51.96 48.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.45 111.19 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.32 -41.08 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 63.42 110.906 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -61.91 -23.85 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 70.31 110.97 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 p -76.62 -35.79 57.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 54.2 110.803 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.702 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 22.8 m-85 -76.66 -21.6 55.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.55 111.113 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.09 14.67 62.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.768 . . . . 61.35 112.601 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.72 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.0 pt -108.33 151.01 41.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.721 0.296 . . . . 65.32 111.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.489 ' HG2' HG13 ' A' ' 112' ' ' VAL . 34.1 Cg_endo -65.05 151.51 85.5 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.602 2.202 . . . . 74.14 112.433 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -123.26 106.5 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 52.24 110.508 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.655 HD11 HG21 ' A' ' 158' ' ' THR . 4.7 mp -108.07 144.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.016 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.11 131.99 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.54 111.011 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.6 p -142.26 174.63 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 61.41 110.957 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.48 124.72 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.862 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.761 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . . . -79.26 -2.39 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.55 111.582 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -95.02 -29.3 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.319 . . . . 70.14 110.986 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.0 p -122.42 1.35 9.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 61.13 111.571 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 28.5 ttt180 49.35 67.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.901 0.382 . . . . 64.34 111.135 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.33 117.43 29.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 63.01 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.464 ' O ' HG22 ' A' ' 144' ' ' THR . . . 56.24 20.83 30.35 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.861 -0.685 . . . . 42.12 112.941 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.49 HG13 HD22 ' A' ' 19' ' ' LEU . 19.9 t -54.52 -55.54 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.833 0.349 . . . . 73.11 111.297 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 mp0 -66.43 -27.6 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.814 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -56.54 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.907 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.856 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -56.17 -35.54 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 71.42 111.158 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 23' ' ' LEU . 3.2 m-85 -70.71 -50.89 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.0 m-85 -53.94 -27.56 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 72.44 111.153 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 142' ' ' ILE . 9.5 m -56.84 -43.16 80.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 55.34 111.13 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.773 HD13 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -55.73 -32.27 63.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 72.14 110.799 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.4 t -59.95 -53.72 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 72.32 110.986 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -63.02 -31.38 72.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.782 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.48 -47.18 57.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD22 ' A' ' 159' ' ' LEU . 42.4 mt -66.7 -34.96 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.137 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.3 mtm-85 -51.32 -29.9 16.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.058 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -108.17 -35.35 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.915 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.257 -0.877 . . . . 44.32 110.92 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.029 0.443 . . . . 75.41 111.344 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.27 144.92 23.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 65.53 110.635 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -109.14 115.42 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.935 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.547 ' HB2' HD23 ' A' ' 53' ' ' LEU . 44.3 m-85 -101.18 99.08 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.864 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -86.63 98.27 11.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.883 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 55' ' ' ILE . 11.7 mt -84.3 130.49 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.247 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.523 HG23 ' HA3' ' A' ' 75' ' ' GLY . 71.4 t -103.57 102.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.834 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.5 138.65 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 63.21 111.001 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.92 151.13 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 64.22 110.949 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.19 156.26 22.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.664 -0.779 . . . . 54.33 112.625 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.45 50.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.261 . . . . 70.31 111.609 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.87 -69.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 65.33 112.086 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.5 -5.9 79.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 62.32 112.452 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.562 HG12 ' CB ' ' A' ' 89' ' ' SER . 26.9 m -54.67 -29.99 21.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.752 0.31 . . . . 71.22 111.42 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.84 26.85 11.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.549 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -65.5 -23.05 66.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 52.32 111.106 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -80.38 -42.83 22.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 40.34 111.064 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.529 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -53.09 -46.48 68.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD22 HG12 ' A' ' 152' ' ' VAL . 67.9 mt -60.74 -34.65 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.41 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.879 HG23 HG21 ' A' ' 55' ' ' ILE . 74.0 m -70.33 -50.62 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.835 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.561 HD11 ' OH ' ' A' ' 40' ' ' TYR . 44.7 mm -60.95 -42.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 62.21 111.01 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -57.59 -44.21 85.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 61.04 110.764 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.14 -59.11 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 52.33 110.608 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.51 -59.09 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 64.04 110.924 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 72.43 110.758 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 74.3 110.678 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -115.16 123.35 48.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -121.36 148.75 43.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.43 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -101.34 126.09 48.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.64 174.71 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 64.04 111.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.27 100.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 62.15 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 160' ' ' VAL . 43.8 mt -119.62 131.6 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 53.52 111.082 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.22 34.31 8.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.52 31.81 67.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 44.41 112.524 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.49 109.15 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.54 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -59.69 124.01 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.859 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.0 m -147.44 152.19 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.43 143.61 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.807 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 4' ' ' TYR . 72.8 mt -117.52 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 53.13 110.767 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.82 97.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.999 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 20' ' ' THR . 43.1 mm -79.04 122.04 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 65.35 110.988 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.2 tm? -114.43 101.41 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.899 -0.591 . . . . 72.42 110.847 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.71 108.76 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.781 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 71' ' ' TYR . 12.0 p -75.22 171.49 14.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.844 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.182 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.3 mtp . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.761 0.315 . . . . 73.13 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.57 -25.61 11.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.296 -0.411 . . . . 71.44 110.984 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.29 -36.78 39.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 73.52 111.11 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.711 ' OE1' HG21 ' A' ' 74' ' ' THR . 0.0 OUTLIER -57.16 -41.93 80.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.374 . . . . 75.25 110.76 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE2' HG22 ' A' ' 58' ' ' THR . 17.2 m-85 -52.86 -50.54 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 74.15 111.606 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.69 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -55.96 -34.95 66.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.421 . . . . 72.51 110.394 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 33.3 mtm180 -81.44 -17.73 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 61.34 111.492 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.711 HG21 ' OE1' ' A' ' 70' ' ' GLN . 81.8 p -98.32 -11.02 22.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.698 0.285 . . . . 75.31 110.98 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.73 155.06 19.32 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.52 -0.848 . . . . 54.13 113.692 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -96.33 -18.93 19.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.797 0.332 . . . . 74.45 110.566 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.3 -165.83 12.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.967 -0.635 . . . . 61.41 112.12 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 100' ' ' ILE . 89.2 m-85 -155.23 140.42 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 74.01 111.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.02 121.9 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 73.54 110.756 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.863 ' HB3' HD12 ' A' ' 93' ' ' ILE . 13.4 m -97.29 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.2 t -102.81 112.96 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' HD1' HD11 ' A' ' 113' ' ' LEU . 5.9 p90 -125.6 144.16 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.614 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HB1' ' HD3' ' A' ' 117' ' ' LYS . . . -87.33 123.64 32.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.312 -0.403 . . . . 73.53 110.947 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -59.92 -31.17 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.855 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 1.3 t30 -71.39 -29.15 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 63.1 110.812 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -106.5 109.27 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.793 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -67.44 -25.36 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.174 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -41.54 97.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.444 -0.344 . . . . 64.14 110.678 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.562 ' CB ' HG12 ' A' ' 14' ' ' VAL . 83.6 p -61.32 -28.9 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.12 -45.09 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.15 110.895 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.44 -29.89 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 53.45 111.082 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -67.09 -32.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 60.11 110.909 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 80' ' ' CYS . 22.7 mm -61.84 -28.94 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 41.04 110.922 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.62 -55.36 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.03 110.695 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -67.07 -28.46 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 55.32 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.3 m-85 -63.45 -49.66 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 64.52 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -57.1 -35.96 70.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.82 81.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -37.25 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.837 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 78' ' ' PHE . 47.4 mt -69.46 -44.05 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.54 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -30.46 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 75.34 110.84 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -58.94 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 65.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 72' ' ' MET . 39.4 t -58.69 -58.2 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 72.24 110.876 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -59.24 -24.92 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.684 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.5 t0 62.06 37.42 14.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.802 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -164.14 157.45 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 44.2 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -85.79 -42.56 14.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.654 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.86 92.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 65.14 110.644 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.3 t -128.5 136.39 29.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 54.35 110.782 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 109' ' ' VAL . 63.2 Cg_endo -74.73 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.902 2.402 . . . . 73.04 112.471 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -145.83 168.15 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.11 110.886 179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.633 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.1 t -143.19 151.08 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 70.21 111.071 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -110.43 127.28 55.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.964 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.674 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.0 t -120.47 137.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.04 111.082 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.57 78.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.717 -0.754 . . . . 65.23 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 19' ' ' LEU . 6.3 t-20 -52.71 170.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.823 0.344 . . . . 74.31 110.966 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 17.1 mtpt 61.98 49.7 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.896 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.8 t -87.47 5.84 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 52.14 111.411 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -110.05 -17.91 13.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.708 0.289 . . . . 73.04 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.4 mm? -53.62 173.01 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.403 -0.362 . . . . 74.01 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.35 41.27 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 61.23 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -166.78 64.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.983 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.781 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -72.03 84.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 55.34 111.013 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.2 p -60.52 -28.14 68.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 55.52 110.724 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.37 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.64 165.45 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.0 m -57.5 -25.19 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 75.11 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -62.47 -56.51 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 63.51 110.934 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.26 -39.14 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.04 111.071 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -66.92 -37.12 83.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.266 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -29.91 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.054 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.18 -45.5 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.395 . . . . 72.13 111.027 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.459 HD22 ' CZ ' ' A' ' 137' ' ' TYR . 20.4 mt -74.09 -48.79 27.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.168 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -56.77 -39.13 73.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 63.33 111.063 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -73.69 -44.25 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 64.4 110.856 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -64.08 -37.21 86.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.805 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-85 -84.33 -21.55 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.072 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.38 18.15 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 60.31 112.591 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.749 HG21 ' HG2' ' A' ' 111' ' ' MET . 8.0 pt -106.29 156.77 36.34 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.334 . . . . 75.24 111.46 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.633 ' HG2' HG13 ' A' ' 112' ' ' VAL . 62.1 Cg_endo -73.71 148.84 42.27 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.616 2.211 . . . . 73.51 112.206 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.433 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 13.9 t80 -124.76 124.78 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 74.42 111.015 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.78 HD11 HG21 ' A' ' 158' ' ' THR . 4.3 mp -125.11 155.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.829 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -115.67 129.76 56.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 72.01 110.856 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 151' ' ' GLY . 11.7 p -143.97 165.64 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 70.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.73 123.75 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 72.5 110.735 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 18' ' ' ALA . . . -74.03 -25.47 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 60.24 111.263 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -77.8 -51.28 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 72.22 111.111 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 p -88.08 -20.35 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 34.2 111.436 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 63.34 61.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 64.22 110.596 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -119.76 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 71.45 110.95 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' THR . . . 70.61 8.84 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.847 -0.692 . . . . 71.22 112.906 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.624 HG12 HD22 ' A' ' 19' ' ' LEU . 20.8 m -57.42 -40.4 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 65.1 111.162 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.4 mt-10 -73.69 -31.69 63.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.827 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.01 -34.77 76.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.836 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.674 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -73.88 -40.44 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 51.31 111.1 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -69.03 -49.6 56.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 m-85 -56.64 -28.8 61.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.45 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 142' ' ' ILE . 99.0 m -59.01 -43.27 91.52 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.274 -0.421 . . . . 43.23 110.612 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.614 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.5 tp -58.94 -44.23 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.515 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 46' ' ' ILE . 48.6 t -51.29 -46.95 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.198 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -31.97 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.8 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.93 -51.71 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.111 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 110' ' ' PRO . 32.0 mt -56.74 -45.38 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.349 -0.387 . . . . 72.42 111.01 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -26.42 66.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.167 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -95.49 26.13 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 61.42 111.198 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 73.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 71.23 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.82 149.78 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.822 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.83 110.45 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.53 110.842 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -97.88 116.02 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -90.7 92.17 8.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 73.4 110.763 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.694 HD12 HD13 ' A' ' 55' ' ' ILE . 20.2 mt -91.97 134.55 34.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.152 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.6 t -109.67 105.3 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.88 140.26 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 71.33 110.87 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.2 m -141.02 137.6 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 55.14 111.206 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.5 154.55 19.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.408 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -56.49 175.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 74.13 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 -44.41 92.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 61.4 112.422 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.44 54.18 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.423 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.2 m -117.07 -39.39 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 60.3 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.25 47.31 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 63.34 112.695 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -73.62 -33.24 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 65.33 110.731 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 p -71.36 -31.9 67.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 72.01 111.011 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.78 -63.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.258 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.51 -24.71 33.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 54.04 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.1 m -67.1 -43.88 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 71.21 111.186 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.65 -30.4 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 75.32 110.924 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HB2' HG11 ' A' ' 152' ' ' VAL . 69.8 mm-40 -56.22 -39.96 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 64.12 110.884 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.8 -35.44 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 75.11 110.963 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.17 -69.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 60.34 111.406 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.063 -179.718 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.818 0.342 . . . . 74.31 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.74 117.65 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.857 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -113.69 150.09 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.981 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.36 135.71 41.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.41 110.843 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 34.3 m -147.41 174.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.155 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.1 106.54 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.991 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.823 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.0 mt -127.15 124.3 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.4 111.138 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.68 39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 55.11 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.03 28.67 61.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 72.31 112.538 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -146.27 104.44 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 75.54 110.882 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.7 m -58.96 128.86 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.829 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.9 m -145.22 152.11 39.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 62.03 110.992 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.52 136.83 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 71.13 110.876 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -106.69 79.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 75.33 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.56 93.58 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 HD12 ' A' ' 6' ' ' LEU . 17.3 mm -84.25 110.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.143 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 57' ' ' ASP . 1.1 tt -83.52 123.75 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 64.03 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' N ' HD23 ' A' ' 56' ' ' LEU . 29.6 t70 -100.81 100.04 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.907 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -85.1 -175.8 5.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.13 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.737 0.303 . . . . 74.11 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.8 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.724 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -33.22 58.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 63.45 110.614 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.816 ' O ' HG23 ' A' ' 74' ' ' THR . 2.4 tp60 -68.87 -39.39 79.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 74.03 110.702 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -58.42 -36.73 74.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.741 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.807 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -63.97 -48.22 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 62.14 110.075 179.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.433 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 47.1 mtm180 -67.89 -12.0 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.616 . . . . 73.33 111.191 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 70' ' ' GLN . 69.6 p -99.25 -11.77 20.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.67 0.272 . . . . 73.24 110.93 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.661 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -110.36 148.57 17.54 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.605 -0.807 . . . . 72.0 113.254 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 4.1 mt-10 -89.89 -21.67 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.21 110.633 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.64 -174.3 13.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.039 -0.6 . . . . 75.23 112.138 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 100' ' ' ILE . 94.6 m-85 -150.55 134.85 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.12 111.021 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.41 108.83 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.945 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.1 m -88.82 128.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.684 ' O ' HD11 ' A' ' 93' ' ' ILE . 32.7 m -116.15 133.85 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 55.34 111.056 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.99 130.22 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.21 123.75 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.42 111.103 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.8 pt -60.17 -31.37 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.995 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -71.35 -25.91 62.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 70.01 110.928 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -114.62 99.69 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 73.35 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 125' ' ' VAL . 3.0 m -58.41 -27.71 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.004 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -57.49 -45.11 85.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.842 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.7 m -57.65 -36.88 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 55.44 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.94 -36.97 78.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.821 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.81 -28.89 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.35 110.952 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -70.69 -32.84 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.995 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 21.4 mm -61.07 -29.65 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.756 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.86 -55.43 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 65.55 110.61 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.46 -28.81 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.997 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.07 -41.66 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 70.32 110.836 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -63.57 -36.55 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.11 110.934 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.25 -41.21 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.009 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -37.64 82.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 78' ' ' PHE . 52.2 mt -70.04 -49.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 71.03 111.09 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -35.46 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 75.1 110.949 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -58.02 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.855 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 72' ' ' MET . 54.5 t -58.05 -59.18 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.023 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -25.71 67.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.42 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t70 63.58 43.5 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 63.42 110.803 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -174.3 154.29 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.94 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -34.49 29.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 54.14 110.756 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -75.43 98.48 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 60.31 110.716 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 110' ' ' PRO . 58.9 t -139.57 136.9 18.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.887 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.521 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.2 Cg_endo -71.89 101.13 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.784 2.322 . . . . 54.43 112.128 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.627 ' HG3' HG21 ' A' ' 139' ' ' ILE . 15.5 ptp -145.39 168.73 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -145.31 145.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 75.05 111.058 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' A' ' 134' ' ' ALA . 8.0 tp -108.9 107.85 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 62.45 110.928 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.697 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.5 t -100.34 150.5 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 64.0 111.182 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.99 100.2 1.02 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 73.23 112.429 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -76.71 168.57 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 74.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mttp 60.56 64.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.4 110.971 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.26 -15.11 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 62.42 111.164 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -88.85 -25.91 21.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.299 . . . . 71.45 111.134 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 120' ' ' LEU . 21.1 mt -53.02 150.91 5.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 50.21 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.1 31.04 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.154 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.02 70.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.11 111.114 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.802 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -82.99 84.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.8 p -56.51 -34.81 67.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 87' ' ' THR . 99.5 t -110.47 124.11 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.5 162.4 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 71.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.6 t -70.33 -38.47 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 111.009 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -55.75 -46.09 77.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.439 HE21 HG13 ' A' ' 125' ' ' VAL . 8.6 tt0 -63.31 -38.32 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.942 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.8 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.096 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.427 ' HG2' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -68.61 -31.02 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.03 110.871 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.21 -43.68 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.74 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.568 HD11 ' OH ' ' A' ' 137' ' ' TYR . 15.6 tp -72.73 -48.72 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.43 110.706 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.433 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.11 -39.91 76.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 64.33 111.079 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -64.84 -29.82 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.941 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -72.75 -35.29 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.584 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.568 ' OH ' HD11 ' A' ' 133' ' ' LEU . 20.2 m-85 -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 73.4 111.019 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.9 17.6 65.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.717 -0.754 . . . . 60.22 112.544 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.627 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.2 pt -112.52 156.86 41.66 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 72.1 111.399 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.7 Cg_endo -70.04 157.04 61.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.608 2.205 . . . . 72.35 112.436 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.427 ' CD2' ' HG2' ' A' ' 131' ' ' GLN . 80.8 t80 -129.19 116.88 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 75.51 110.548 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 158' ' ' THR . 2.9 mp -119.94 156.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.195 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.439 ' N ' HG22 ' A' ' 142' ' ' ILE . 15.0 mt-10 -114.41 134.05 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.868 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.7 p -144.14 166.86 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 73.25 111.05 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 p -137.72 113.53 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.845 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.79 -23.7 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.402 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.135 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.72 -20.0 61.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 63.24 111.292 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 66.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 73.3 110.787 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.85 125.2 50.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 65.31 110.829 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.55 23.35 27.69 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.697 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.417 HG11 ' HB2' ' A' ' 22' ' ' GLN . 23.9 t -57.73 -55.9 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 65.34 111.052 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.7 -25.95 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 70.32 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.65 -50.6 72.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 71.44 110.851 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -59.21 -47.29 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.45 110.923 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE1' HD12 ' A' ' 55' ' ' ILE . 26.3 m-85 -58.04 -50.48 73.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.779 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -54.05 -33.98 58.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 63.34 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.942 HG21 HD11 ' A' ' 142' ' ' ILE . 5.0 m -58.04 -42.84 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -53.95 -43.52 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.924 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 46' ' ' ILE . 38.7 t -53.88 -55.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 70.51 111.145 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -52.77 -40.44 63.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.084 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.41 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 110' ' ' PRO . 27.4 mt -65.32 -44.62 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.31 111.196 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -49.91 56.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.354 -0.384 . . . . 74.42 111.084 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.44 -27.34 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.942 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 74.32 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 50' ' ' THR . 7.2 tpp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 70.24 111.169 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.453 ' CG2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -125.93 144.21 50.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 72.13 110.793 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.82 110.48 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 71.11 110.825 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 2' ' ' THR . 21.6 m-85 -101.87 107.62 18.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 1.2 mmtm -89.18 95.4 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 70.44 110.817 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 55' ' ' ILE . 62.7 mt -90.01 110.2 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.12 111.045 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.2 t -80.85 104.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.14 111.047 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.95 119.71 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 79' ' ' LEU . 29.6 m -130.58 150.25 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 71.43 111.046 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.42 -73.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.635 -0.793 . . . . 34.41 112.549 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -179.46 -39.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 73.32 111.074 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.81 -29.07 2.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 73.1 112.449 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' HA2' ' O1A' ' A' ' 201' ' ' GNP . . . -136.89 32.37 2.45 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 42.15 112.471 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.44 -26.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 51.2 111.126 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.11 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.806 -0.711 . . . . 63.24 112.635 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -60.76 -43.96 97.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 75.25 110.736 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -63.48 -43.0 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.863 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.77 -43.18 94.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 70.23 111.148 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD2' HG13 ' A' ' 152' ' ' VAL . 12.4 mt -68.61 -29.09 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HG21 ' A' ' 55' ' ' ILE . 90.6 m -67.4 -56.6 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.967 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' HIS . 44.8 mm -54.17 -29.75 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 44.32 111.277 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.7 ' CB ' HG11 ' A' ' 152' ' ' VAL . 38.8 mm-40 -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.946 0.403 . . . . 64.44 110.593 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -67.33 -17.22 64.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.544 . . . . 71.44 111.165 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 40' ' ' TYR . 42.0 mm -90.81 -69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.467 -0.333 . . . . 73.24 111.79 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.63 -14.28 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.441 -0.345 . . . . 64.45 111.688 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 68.0 35.46 3.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 41.43 110.831 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.426 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.3 p-80 -132.51 157.7 43.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 72.55 110.807 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -77.09 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 71.43 110.479 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 303' ' ' HOH . 10.6 t -52.49 105.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 75.4 111.319 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -116.4 -37.18 3.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.702 . . . . 75.11 110.894 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -148.58 121.2 8.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 73.55 110.666 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' HG13 ' A' ' 29' ' ' VAL . 34.6 p90 -145.75 172.66 12.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.12 110.891 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.85 94.56 9.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.12 110.809 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -74.77 -167.33 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.54 2.16 . . . . 73.32 112.294 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t 64.29 23.08 12.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.42 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.8 pp -156.83 -178.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.364 -0.38 . . . . 63.54 110.956 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -74.72 108.03 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 73.11 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -78.57 64.23 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.842 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.9 p -110.17 144.19 39.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 52.02 110.987 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 10.9 m-85 -139.27 127.42 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 72.01 110.806 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' A' ' 52' ' ' LEU . 41.3 ptt180 -108.75 127.42 53.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.354 -0.385 . . . . 74.31 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.66 145.97 50.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.32 110.962 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -92.25 131.98 37.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 61.22 110.727 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.716 HG21 HD11 ' A' ' 53' ' ' LEU . 21.9 m -145.92 179.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.388 -0.369 . . . . 40.53 111.226 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -126.7 100.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 63.52 111.048 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.754 ' CD1' HG21 ' A' ' 160' ' ' VAL . 30.3 mt -116.95 136.98 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 65.03 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.21 28.25 15.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.921 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.72 32.02 77.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.764 . . . . 42.5 112.551 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -146.08 106.39 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.53 111.002 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' SD ' ' A' ' 1' ' ' MET . 85.1 m -61.76 125.66 24.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 55.04 110.739 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 96.5 m -148.83 163.65 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 43.32 111.074 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -87.09 148.16 25.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 75.55 110.596 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.716 HD11 HG21 ' A' ' 44' ' ' VAL . 65.2 mt -121.98 81.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 75.11 111.108 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 98.31 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.821 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.681 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.1 mm -89.03 112.01 23.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 75.45 111.17 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 58' ' ' THR . 0.3 OUTLIER -97.6 118.99 35.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.381 . . . . 72.21 110.53 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.6 97.3 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.643 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.494 ' CG2' HD21 ' A' ' 56' ' ' LEU . 10.9 p -75.2 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.935 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.45 120.5 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 53.51 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.82 -24.22 72.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.696 -0.764 . . . . 64.24 112.592 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -170.5 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 75.22 111.007 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.46 150.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 70.04 110.952 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.59 127.63 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 61.4 110.785 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CG ' ' HG3' ' A' ' 67' ' ' MET . 0.2 OUTLIER -176.17 37.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 74.34 110.888 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -35.59 65.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 73.23 110.767 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' O ' ' O3A' ' A' ' 203' ' ' KOB . . . -57.54 -28.46 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 44.23 110.746 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.484 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.0 mmt -78.37 -38.43 41.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 74.35 110.386 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -59.76 4.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.772 -0.649 . . . . 54.51 111.476 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -49.46 -27.14 3.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 64.33 111.63 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.835 ' NE2' ' H5 ' ' A' ' 203' ' ' KOB . 6.7 tp60 -81.65 -38.37 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.416 -0.356 . . . . 75.02 111.267 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 67' ' ' MET . 21.4 m-85 -68.33 -36.17 78.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 74.33 111.548 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -66.54 -38.17 86.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.012 0.434 . . . . 64.44 110.266 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -79.06 -14.79 58.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.777 -0.647 . . . . 72.31 111.492 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' GLN . 76.0 p -100.6 -21.12 15.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.788 0.328 . . . . 72.3 110.819 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -90.98 149.72 20.1 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.831 -0.7 . . . . 61.52 113.172 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -92.03 -18.11 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.783 0.325 . . . . 75.11 110.789 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.93 164.63 32.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.02 -0.61 . . . . 74.14 112.166 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 100' ' ' ILE . 15.4 m-85 -128.28 142.92 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 72.35 111.17 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.113 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -115.04 117.16 29.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 72.43 110.814 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.801 ' HB3' HD12 ' A' ' 93' ' ' ILE . 85.3 m -95.74 104.16 16.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 64.42 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.82 132.9 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 53.45 110.91 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HZ ' ' HB2' ' A' ' 130' ' ' ALA . 31.7 p90 -144.85 152.39 40.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 75.21 110.796 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.7 123.78 33.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 72.11 111.024 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.9 pt -57.88 -30.3 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.044 0.449 . . . . 64.35 110.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -71.53 -16.77 62.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.851 -0.613 . . . . 73.4 111.076 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.49 104.38 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 74.43 111.007 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 m -65.42 -25.2 67.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 62.55 110.939 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -68.03 -41.91 81.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 53.12 110.68 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -58.89 -37.45 76.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.81 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.433 ' CE1' HD22 ' A' ' 133' ' ' LEU . 87.7 t80 -61.04 -28.08 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 73.32 110.77 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.7 -37.34 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.946 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.02 -34.36 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 62.31 110.842 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.801 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.3 mm -59.66 -27.38 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 70.31 110.819 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.61 -55.36 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.14 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -30.03 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.445 -0.343 . . . . 63.02 111.116 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -63.28 -43.78 96.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 73.34 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.408 HH21 HD11 ' A' ' 139' ' ' ILE . 25.5 ttm105 -61.3 -38.39 86.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 74.24 111.065 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.18 -29.03 44.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.046 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -43.27 45.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.749 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 78' ' ' PHE . 61.9 mt -59.61 -50.45 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.982 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 107' ' ' ASP . 14.2 mtmt -57.49 -40.18 78.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.01 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -59.01 4.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 64.03 111.245 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 72' ' ' MET . 47.6 t -58.39 -52.14 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 73.44 111.051 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -22.46 66.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 71.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.0 t0 64.38 47.93 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 51.55 110.736 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.27 136.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 52.42 110.737 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 12.3 p-10 -70.78 -37.59 73.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.054 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -93.38 91.09 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.183 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 100' ' ' ILE . 28.9 m -115.32 153.36 47.49 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 74.32 110.879 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.6 Cg_endo -70.83 105.99 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.492 2.128 . . . . 75.4 112.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.63 ' HG3' HG21 ' A' ' 139' ' ' ILE . 10.8 ptp -154.29 170.74 20.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 55.13 110.926 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -140.54 149.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 42.55 111.139 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.0 tp -113.46 103.25 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.83 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.729 HG21 ' HB1' ' A' ' 155' ' ' ALA . 20.1 t -102.0 145.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 71.34 111.219 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.32 90.01 0.54 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 54.34 112.418 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.72 168.92 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.4 111.027 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt 61.96 67.7 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 64.4 110.917 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.7 t -104.47 -14.98 15.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 44.14 111.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -85.42 -24.55 27.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 55.43 111.151 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.86 165.38 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.431 -0.35 . . . . 75.3 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.46 26.21 9.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 32.32 111.485 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -147.02 65.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 70.24 110.986 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.743 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.2 ptp85 -79.35 124.89 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.42 . . . . 74.25 111.264 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.2 p -94.79 -41.32 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 75.43 110.684 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.03 94.17 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.022 -0.536 . . . . 73.43 110.666 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.86 157.93 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 74.52 111.036 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 p -56.84 -29.85 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 62.33 110.964 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -59.55 -43.14 93.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.857 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -34.29 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 70.22 110.999 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.466 ' HB2' ' HZ ' ' A' ' 82' ' ' PHE . . . -79.57 -36.53 38.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 71.21 111.085 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -44.59 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.88 -29.14 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.843 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.433 HD22 ' CE1' ' A' ' 90' ' ' PHE . 15.0 tp -80.45 -50.42 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.894 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.487 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.8 -44.75 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 53.21 111.114 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -31.28 70.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.12 110.566 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.4 t -74.87 -27.91 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.603 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -84.4 -17.26 39.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 61.44 111.177 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.42 15.64 61.74 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.386 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.63 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.7 pt -112.6 156.85 41.76 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.763 0.316 . . . . 64.42 111.515 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HG2' HG13 ' A' ' 112' ' ' VAL . 59.8 Cg_endo -73.06 153.62 52.16 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.586 2.19 . . . . 73.32 112.327 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -123.56 117.92 26.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.692 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.851 HD11 HG21 ' A' ' 158' ' ' THR . 2.1 mp -121.16 158.15 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 75.34 111.107 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.462 ' N ' HG22 ' A' ' 142' ' ' ILE . 5.4 mt-10 -123.84 131.51 53.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.828 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.5 p -142.1 172.78 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 64.15 111.063 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.416 ' HG ' ' HG1' ' A' ' 148' ' ' THR . 2.1 p -142.29 114.54 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 73.52 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.81 -20.75 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.53 111.46 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -85.91 -66.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.341 . . . . 60.23 111.236 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.416 ' HG1' ' HG ' ' A' ' 145' ' ' SER . 5.3 p -70.89 -20.62 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.264 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 64.66 67.61 0.55 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 71.41 110.746 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.66 121.52 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.02 110.974 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 144' ' ' THR . . . 53.3 27.32 31.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 55.33 112.794 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.769 HG13 ' CD2' ' A' ' 19' ' ' LEU . 41.1 t -56.26 -55.27 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 64.31 111.108 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 23' ' ' LEU . 59.8 mt-10 -66.79 -27.88 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.3 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.38 -36.44 73.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 71.24 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.729 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -71.43 -48.39 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.035 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.666 ' CB ' HD13 ' A' ' 23' ' ' LEU . 47.7 m-85 -61.19 -48.44 81.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.786 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.1 m-85 -50.48 -31.27 14.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 64.25 110.95 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.851 HG21 HD11 ' A' ' 142' ' ' ILE . 6.4 m -60.4 -39.18 86.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.109 -0.496 . . . . 63.02 110.86 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.113 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -58.09 -48.01 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 75.23 110.953 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.754 HG21 ' CD1' ' A' ' 46' ' ' ILE . 21.8 t -57.89 -38.87 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 63.14 111.051 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -69.82 -30.05 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.85 -50.2 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 52.42 110.838 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 110' ' ' PRO . 20.0 mt -62.17 -45.06 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.179 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 -57.54 -44.56 85.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.978 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -79.17 -21.36 46.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 75.03 111.179 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.15 -0.929 . . . . 74.31 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.489 ' O3A' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 0.835 ' H5 ' ' NE2' ' A' ' 70' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.433 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.495 ' O ' HG21 ' A' ' 29' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.807 0.337 . . . . 52.34 111.155 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 149.8 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.701 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -103.34 109.53 21.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 41.23 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -97.01 129.32 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 73.3 110.715 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -106.2 93.55 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.989 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 159' ' ' LEU . 27.1 mt -100.56 132.04 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 70.3 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 56' ' ' LEU . 15.4 m -109.14 137.38 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 73.24 111.226 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 16' ' ' LYS . 22.0 t -115.71 123.45 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.987 -0.551 . . . . 65.45 111.2 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.6 m -104.16 166.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 75.25 110.979 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.28 169.08 41.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.652 -0.785 . . . . 74.11 112.541 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.69 27.68 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.722 0.296 . . . . 65.04 111.247 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.31 60.27 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.696 -0.764 . . . . 62.53 112.801 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.89 31.55 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 64.4 112.214 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 m -106.67 -22.69 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 62.21 111.241 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.24 11.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.671 -0.776 . . . . 65.15 112.398 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HB2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -63.35 -32.34 73.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.77 0.319 . . . . 71.23 110.83 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 303' ' ' HOH . 11.4 p -76.32 -43.76 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.22 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -55.51 -34.77 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 21.32 111.187 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.2 -36.22 81.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 55.52 110.767 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.671 HG23 ' CG2' ' A' ' 55' ' ' ILE . 90.0 m -70.51 -55.62 8.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 70.24 111.057 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.16 -30.44 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.371 -0.377 . . . . 72.31 110.958 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -59.94 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.938 0.399 . . . . 74.24 110.625 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HG3' ' A' ' 153' ' ' GLU . 58.0 tp -76.68 -11.38 59.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 73.13 111.285 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 mm -103.22 -72.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.713 0.292 . . . . 73.41 111.435 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -92.57 -12.67 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 75.33 111.516 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 43.64 32.0 0.51 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.855 0.359 . . . . 71.12 111.347 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -113.61 -12.29 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 60.31 111.29 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.7 OUTLIER 75.49 125.83 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.428 -0.351 . . . . 73.4 110.748 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 32' ' ' TYR . 25.2 t -53.27 145.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.045 0.45 . . . . 53.43 111.194 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.29 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.679 -0.692 . . . . 74.53 110.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 77.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 70.44 110.752 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' CD1' HG13 ' A' ' 29' ' ' VAL . 2.7 p90 -140.19 175.72 9.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.997 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.48 92.76 8.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.718 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 36' ' ' ILE . 59.6 Cg_endo -74.72 179.54 5.89 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.629 2.219 . . . . 72.53 112.37 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.1 t 69.2 12.4 8.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 52.25 111.231 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.2 pp -127.63 -3.66 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.548 -0.296 . . . . 71.41 111.768 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 55.09 67.17 1.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.877 0.37 . . . . 60.51 111.017 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' CB ' HD11 ' A' ' 36' ' ' ILE . 5.4 t0 -83.56 61.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 70.2 110.934 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 t -57.42 160.86 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.817 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -131.28 168.02 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.961 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HB2' HD12 ' A' ' 52' ' ' LEU . 26.4 ptt-85 -145.66 116.02 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 63.23 110.941 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -107.42 131.3 54.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 73.53 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' A' ' 52' ' ' LEU . 4.7 tt0 -88.13 119.69 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.803 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.65 -179.29 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.242 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 45' ' ' VAL . 7.2 p -128.0 102.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.147 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD13 HG21 ' A' ' 160' ' ' VAL . 20.8 mt -111.71 135.42 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 71.12 111.086 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 63.99 31.35 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.51 110.84 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 32.7 84.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.795 -0.717 . . . . 65.12 112.5 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -144.63 108.4 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 75.23 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -60.5 120.03 9.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.785 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.8 m -144.65 149.45 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.925 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.34 145.52 30.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.833 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 46' ' ' ILE . 29.4 mt -120.01 84.06 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 65.42 110.811 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.7 90.6 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.671 ' CG2' HG23 ' A' ' 20' ' ' THR . 24.3 mm -78.38 114.82 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.778 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.909 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -98.27 121.57 40.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.026 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.63 101.87 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.723 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.423 ' CG2' HD21 ' A' ' 56' ' ' LEU . 14.6 p -79.6 -173.88 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.056 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.5 135.61 53.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 73.2 111.157 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.44 12.78 68.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 62.55 112.761 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -149.11 -168.73 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.798 0.332 . . . . 64.34 110.891 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.59 15.93 9.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.193 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 46.68 91.3 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.898 0.38 . . . . 71.4 111.183 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 0.1 OUTLIER -135.22 29.48 3.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.961 -0.563 . . . . 74.51 110.736 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -56.01 -32.41 63.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 75.2 110.283 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -27.78 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.895 -0.593 . . . . 64.34 110.631 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.705 ' HE2' ' N6 ' ' A' ' 203' ' ' KOB . 2.0 mmt -84.05 -33.72 24.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.82 -0.627 . . . . 72.53 110.674 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -55.92 -56.91 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 73.32 111.361 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.25 -30.15 2.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.96 0.41 . . . . 72.25 110.752 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HG2' ' N8 ' ' A' ' 203' ' ' KOB . 6.1 tp60 -79.71 -44.79 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 71.34 110.172 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.909 ' CE1' HD11 ' A' ' 56' ' ' LEU . 37.7 m-85 -56.44 -30.84 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.033 -0.53 . . . . 73.13 111.111 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -74.0 -38.84 63.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 73.35 109.823 178.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -81.48 -21.01 38.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.641 -0.709 . . . . 72.14 111.225 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -98.0 0.49 46.42 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.558 -0.292 . . . . 54.22 110.73 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -114.82 150.17 18.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.688 -0.768 . . . . 51.04 113.289 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -19.3 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 75.12 110.556 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' O ' HG22 ' A' ' 7' ' ' VAL . . . -147.26 178.28 24.99 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.993 -0.622 . . . . 34.13 112.282 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 72' ' ' MET . 45.9 m-85 -143.01 133.31 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.24 111.067 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.89 123.61 48.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 62.21 110.756 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.875 ' HB3' HD12 ' A' ' 93' ' ' ILE . 91.1 m -96.86 116.32 28.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.55 110.928 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.45 117.22 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.4 111.185 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -133.89 141.22 47.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.566 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.25 123.59 31.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 70.22 111.098 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.4 pt -59.32 -21.26 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.3 111.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.8 -34.9 51.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 74.32 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -99.37 114.23 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.3 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -72.25 -28.1 62.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 70.51 111.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -61.13 -39.44 90.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.372 -0.376 . . . . 74.24 110.553 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.1 m -63.24 -31.56 72.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.707 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -62.84 -43.26 99.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 65.55 110.746 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.05 -27.5 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 50.35 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.3 OUTLIER -69.11 -34.7 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.405 . . . . 75.21 110.923 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.875 HD12 ' HB3' ' A' ' 80' ' ' CYS . 33.0 mm -60.69 -25.75 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.4 110.859 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -77.54 -55.37 5.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 70.11 110.791 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -28.27 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 73.34 111.039 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.78 -38.01 89.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.376 . . . . 73.21 110.948 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.82 -34.43 78.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.685 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.0 -31.52 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 40.22 110.98 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -39.28 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.539 HD12 ' HE1' ' A' ' 111' ' ' MET . 50.7 mt -69.96 -45.79 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 70.12 111.051 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -55.25 -27.56 47.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.945 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -74.91 -57.82 3.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.896 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.17 -53.61 46.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.978 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -27.97 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.972 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.4 t70 63.51 47.17 3.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 72.43 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -173.27 141.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -74.76 -35.87 62.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -90.54 85.68 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 153.35 51.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 61.3 111.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.27 108.99 2.48 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.589 2.193 . . . . 73.53 112.363 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 139' ' ' ILE . 6.0 ptp -160.41 170.0 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.811 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.8 t -147.11 149.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 71.22 111.373 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 93' ' ' ILE . 5.5 tp -109.15 102.89 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 73.21 110.576 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.74 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.1 t -92.45 144.82 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.296 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.21 88.57 0.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.825 -0.702 . . . . 73.01 112.375 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.615 HD21 ' HB2' ' A' ' 146' ' ' ALA . 7.3 t-20 -67.04 173.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.11 111.022 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 84' ' ' ILE . 8.1 mptt 58.88 61.53 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.944 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.2 t -102.7 -0.05 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.34 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -102.59 -28.89 11.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.768 0.318 . . . . 63.05 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -54.9 150.36 10.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.032 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.26 35.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 52.03 111.274 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.13 71.74 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.3 111.072 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -94.98 109.88 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 63.42 110.761 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.9 p -84.0 -56.02 3.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.664 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.6 t -79.78 105.24 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.905 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -56.48 160.85 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.962 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.7 m -63.83 -38.56 91.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 71.41 111.022 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.26 -46.54 79.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.961 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -62.72 -41.6 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.957 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.43 81.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.183 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -30.23 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.022 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -60.75 -35.83 77.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 65.02 110.965 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -81.28 -51.5 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.52 111.025 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.39 69.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 61.04 111.124 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -68.66 -31.67 70.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 54.34 110.801 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.8 t -72.1 -40.6 68.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.614 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -67.56 -22.29 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 74.4 111.005 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.11 17.62 64.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.02 112.43 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.598 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.2 pt -110.42 157.02 39.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 64.42 111.452 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.3 Cg_endo -70.78 151.58 63.38 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 54.02 112.234 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -123.19 118.13 26.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.955 HD11 HG21 ' A' ' 158' ' ' THR . 5.0 mp -120.95 143.97 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.908 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -112.79 132.17 55.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 19.6 p -144.56 -178.18 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 74.52 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 122.9 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 65.32 110.947 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.615 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -65.66 -20.63 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 43.21 111.437 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 70.23 111.244 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.7 p -70.96 -23.59 62.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.331 -0.395 . . . . 72.13 111.23 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.69 66.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 73.05 110.717 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.18 121.64 41.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 51.23 110.9 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.51 57.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.763 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 37.3 t -56.4 -55.15 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.917 0.389 . . . . 72.41 111.053 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.0 mp0 -61.47 -28.91 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 74.03 110.794 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.76 63.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.74 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -54.2 -37.51 64.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.401 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.86 -50.27 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 65.23 111.009 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 21.1 m-85 -56.12 -28.55 58.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 70.42 110.996 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.955 HG21 HD11 ' A' ' 142' ' ' ILE . 1.9 m -58.37 -43.04 88.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 73.12 110.809 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.58 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.0 tp -60.34 -47.13 87.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.591 HG21 HD13 ' A' ' 46' ' ' ILE . 38.8 t -50.57 -46.59 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 54.33 111.154 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -37.58 88.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.736 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.99 -48.34 71.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.773 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.19 -49.98 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.141 -0.482 . . . . 73.32 111.094 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.68 -45.1 66.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.953 -0.567 . . . . 72.41 111.212 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.56 -24.47 42.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 75.14 111.188 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.238 -0.887 . . . . 71.3 110.875 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.486 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.335 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.419 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.413 ' O ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.656 ' SD ' HG22 ' A' ' 50' ' ' THR . 5.8 tpp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.964 0.411 . . . . 70.12 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.16 149.95 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 72.11 110.462 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -93.28 120.36 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -108.29 114.62 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.964 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.641 ' HE3' ' HE1' ' A' ' 203' ' ' KOB . 0.4 OUTLIER -88.16 99.7 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.94 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 159' ' ' LEU . 9.6 mt -87.9 112.24 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.806 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -80.19 102.04 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -84.13 137.39 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.975 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -148.34 152.57 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 70.1 110.983 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -160.27 -70.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 45.53 112.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . 176.79 -36.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.681 0.277 . . . . 74.14 111.356 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.35 54.06 0.23 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.789 -0.72 . . . . 62.42 112.196 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.43 -22.82 0.75 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.837 -0.697 . . . . 34.2 112.61 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 81' ' ' VAL . 35.8 m -50.31 -26.1 3.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.751 0.31 . . . . 72.12 111.44 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 22.03 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 62.22 112.703 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -39.36 87.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 75.4 110.7 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.51 110.808 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HA ' HG23 ' A' ' 29' ' ' VAL . . . -59.26 -59.91 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 31.5 111.368 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.751 HD22 HG13 ' A' ' 152' ' ' VAL . 58.7 mt -57.42 -29.27 64.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.4 111.055 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.687 HG23 HG21 ' A' ' 55' ' ' ILE . 87.5 m -63.18 -45.9 89.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 43.23 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.769 HG21 ' CE1' ' A' ' 27' ' ' HIS . 41.2 mm -71.39 -33.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.171 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -58.42 -41.94 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 71.13 110.981 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -69.22 -32.25 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.12 111.07 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -82.28 -69.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.14 111.431 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 43.7 mt-30 -94.56 -97.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.488 -0.323 . . . . 62.15 110.935 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 3.4 m-20 163.11 70.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.802 0.334 . . . . 65.42 110.626 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.769 ' CE1' HG21 ' A' ' 21' ' ' ILE . 17.0 p80 -174.98 175.73 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 71.53 111.25 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -88.89 138.51 31.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 73.12 110.617 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG23 ' HA ' ' A' ' 18' ' ' ALA . 39.5 t -57.55 149.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 73.44 111.059 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 t70 177.5 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.776 -0.647 . . . . 65.11 110.6 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.76 89.02 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 74.05 110.931 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -140.42 170.99 14.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.891 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.588 ' OD1' HD11 ' A' ' 36' ' ' ILE . 9.2 p30 -106.7 90.91 5.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.935 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.11 -21.97 35.74 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.573 2.182 . . . . 63.13 112.386 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -18.22 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 44.44 111.255 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.588 HD11 ' OD1' ' A' ' 33' ' ' ASP . 2.9 pp -125.85 172.93 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 74.05 111.243 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.8 mt-10 -55.82 126.96 27.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 60.34 111.043 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.85 51.57 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.918 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.2 t -103.46 158.05 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 62.11 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' OH ' HD11 ' A' ' 21' ' ' ILE . 7.8 m-85 -144.57 161.61 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 73.52 110.921 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -135.63 131.28 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.059 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -145.61 146.59 31.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.88 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.23 137.25 34.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 75.32 110.841 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 53' ' ' LEU . 27.3 m -145.63 176.14 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 73.51 111.116 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.94 101.52 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.161 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CD1' HG21 ' A' ' 160' ' ' VAL . 23.6 mt -127.5 138.18 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.068 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.56 30.31 18.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.911 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.07 30.53 73.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 44.43 112.51 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -141.67 98.13 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 71.15 110.964 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 ' SD ' ' A' ' 1' ' ' MET . 87.8 m -60.87 120.09 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.808 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.1 m -145.46 155.33 43.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.036 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -78.42 148.63 33.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.779 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 44' ' ' VAL . 24.9 mt -114.3 89.27 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.988 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.83 96.19 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.782 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.687 HG21 HG23 ' A' ' 20' ' ' THR . 22.9 mm -80.52 114.77 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 60.22 111.082 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.589 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.0 tm? -103.86 106.3 16.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.692 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.7 114.05 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.902 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 p -78.75 -173.75 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 53.34 110.805 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 149.33 27.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.215 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.95 -3.91 22.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.859 -0.686 . . . . 71.14 112.685 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -128.28 39.4 3.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 62.42 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.67 148.96 7.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 70.01 110.883 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.16 -79.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.785 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 49.94 35.0 8.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 75.52 111.004 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.6 p -57.31 -34.37 68.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 73.53 110.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.5 -46.97 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.03 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.698 ' HE2' ' N6 ' ' A' ' 203' ' ' KOB . 4.7 ptp -83.88 -30.93 26.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 75.23 110.872 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 71' ' ' TYR . 36.7 ttp85 -52.38 -42.66 64.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.718 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -66.02 -39.22 90.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.522 . . . . 75.5 110.385 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.838 ' O ' HG23 ' A' ' 74' ' ' THR . 10.8 tt0 -61.14 -39.39 89.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 74.31 110.638 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.901 ' CE1' ' HD1' ' A' ' 203' ' ' KOB . 44.6 m-85 -57.83 -33.72 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.085 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.88 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.6 mtt -69.68 -40.1 76.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.046 0.451 . . . . 73.11 109.87 179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 44.3 mtm-85 -81.28 -12.99 58.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.822 -0.626 . . . . 72.54 111.271 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 70' ' ' GLN . 70.1 p -97.81 -19.67 18.01 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.843 0.354 . . . . 74.34 110.718 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -95.93 158.4 21.89 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.689 -0.767 . . . . 34.13 113.408 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 163' ' ' ILE . 2.3 mt-10 -101.56 -15.47 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 45.22 110.742 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -149.79 163.47 29.36 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.91 -0.662 . . . . 64.44 112.376 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 104' ' ' LYS . 4.5 m-85 -130.93 143.31 50.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 72.52 111.214 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.039 HD12 HD23 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -126.86 117.7 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 63.42 110.887 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.06 102.83 14.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.937 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' O ' HG21 ' A' ' 14' ' ' VAL . 8.7 p -111.74 129.48 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.54 111.167 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.455 ' HA ' HG11 ' A' ' 14' ' ' VAL . 31.2 p90 -143.54 163.55 32.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 54.33 110.82 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -96.9 129.17 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 51.03 111.004 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB2' ' A' ' 123' ' ' ARG . 7.6 pt -67.5 -31.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.21 111.258 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.417 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 3.4 p-10 -65.57 -19.6 65.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 62.44 111.043 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -121.11 104.95 10.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.392 -0.367 . . . . 71.31 110.829 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 125' ' ' VAL . 1.6 m -61.47 -27.23 68.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 62.25 111.08 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -55.27 -46.57 76.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 73.02 111.069 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.422 ' HB3' HG11 ' A' ' 14' ' ' VAL . 4.4 m -57.45 -40.96 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 74.1 110.642 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 133' ' ' LEU . 37.6 t80 -61.15 -27.0 68.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 73.1 110.566 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -74.76 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 60.51 110.853 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -75.12 -31.31 61.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.1 mm -60.65 -36.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 75.53 110.643 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -64.42 -55.47 20.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 64.33 110.809 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -67.1 -29.9 69.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 70.3 111.189 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.75 -54.91 36.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 70.12 111.039 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.481 ' NH2' HD22 ' A' ' 113' ' ' LEU . 8.0 ttm-85 -50.84 -37.05 40.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.303 -0.408 . . . . 71.42 111.347 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.52 -37.92 79.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.381 . . . . 74.45 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.437 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -60.38 -29.06 68.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 74.45 111.012 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.428 HD12 ' HE1' ' A' ' 111' ' ' MET . 43.5 mt -74.96 -38.45 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.325 -0.398 . . . . 62.1 110.925 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.03 -54.19 44.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 74.12 111.014 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -49.16 76.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 71.41 111.414 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 72' ' ' MET . 72.3 t -63.5 -65.23 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 75.23 111.136 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.461 ' HD3' HG11 ' A' ' 109' ' ' VAL . 5.4 mtpm? -59.34 -23.22 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.815 -0.63 . . . . 73.33 111.051 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t0 63.32 52.11 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 50.4 110.938 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.31 150.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 61.32 110.825 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -88.24 -30.64 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -93.75 85.18 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 54.45 110.921 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 104' ' ' LYS . 11.9 m -124.38 152.56 68.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 63.35 111.095 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.18 107.08 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.572 2.181 . . . . 73.35 112.437 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.428 ' HE1' HD12 ' A' ' 100' ' ' ILE . 6.1 ptp -150.24 173.11 14.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 62.22 110.901 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.512 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.6 t -150.7 161.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 73.4 111.155 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 134' ' ' ALA . 4.8 tp -129.65 111.24 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.846 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG21 ' HB1' ' A' ' 155' ' ' ALA . 24.2 t -109.19 155.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 51.33 111.257 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.93 92.39 0.52 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.862 -0.685 . . . . 53.14 112.393 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 165.87 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 72.44 111.066 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.49 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.4 mttt 60.89 58.97 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.3 t -95.85 -4.77 43.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 63.23 111.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.36 -15.02 15.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.639 0.257 . . . . 64.52 111.343 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 117' ' ' LYS . 6.5 mt -49.81 151.16 1.88 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.798 0.332 . . . . 72.41 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -99.71 16.74 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.61 61.11 1.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.834 0.349 . . . . 41.02 111.042 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB2' HD12 ' A' ' 84' ' ' ILE . 7.6 ptp85 -79.53 156.18 27.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.024 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.8 p -125.34 -47.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 52.5 110.794 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 87' ' ' THR . 40.1 t -96.3 96.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 75.03 111.032 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -58.21 159.6 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 44.11 110.986 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.2 t -55.96 -29.83 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 65.42 111.066 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -59.78 -46.22 89.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.54 110.906 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.34 -31.71 73.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 51.44 110.999 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.74 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.33 111.159 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -32.21 72.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -67.73 -31.54 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 70.55 110.983 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 90' ' ' PHE . 20.9 tp -78.95 -51.28 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 65.23 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -63.74 -41.53 98.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 34.13 111.187 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -27.17 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.959 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -76.45 -33.73 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 70.15 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.436 ' HB2' HG12 ' A' ' 139' ' ' ILE . 22.2 m-85 -84.11 -4.95 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.407 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.81 21.89 75.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 62.22 112.544 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 137' ' ' TYR . 16.8 pt -112.8 153.85 45.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 73.21 111.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.512 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.0 Cg_endo -71.08 163.81 37.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.526 2.151 . . . . 65.32 112.193 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -132.16 122.59 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 65.21 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.679 HD11 HG21 ' A' ' 158' ' ' THR . 2.7 mp -119.89 156.46 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.953 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.468 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.8 mp0 -124.28 123.51 40.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 74.32 110.801 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 44.8 p -135.9 177.41 7.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.51 111.088 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -149.6 114.71 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 40.44 110.865 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -64.43 -25.12 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 74.11 111.403 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -80.06 -66.29 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.404 -0.362 . . . . 75.2 111.202 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 25.1 p -72.83 -18.05 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 62.21 111.416 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.497 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 62.88 65.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 64.4 110.678 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 126.35 54.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 52.21 111.116 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 49.71 26.52 7.95 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.969 -0.634 . . . . 75.33 112.891 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.751 HG13 HD22 ' A' ' 19' ' ' LEU . 26.7 t -56.67 -55.33 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.899 0.38 . . . . 52.41 111.117 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 9.0 mt-10 -65.61 -27.17 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 62.1 110.851 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -40.15 75.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.911 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -69.24 -48.56 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.05 111.008 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -58.85 -47.16 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 63.24 110.79 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.7 m-85 -53.39 -34.58 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 73.35 110.955 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.679 HG21 HD11 ' A' ' 142' ' ' ILE . 3.1 m -59.13 -35.11 72.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 54.31 110.886 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.039 HD23 HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.17 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 71.54 110.866 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.807 HG21 ' CD1' ' A' ' 46' ' ' ILE . 22.0 t -57.98 -36.86 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 63.31 111.003 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.12 -28.57 64.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.13 110.766 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -74.2 -50.29 19.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.942 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 76' ' ' GLU . 15.5 mt -59.54 -45.75 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.311 -0.404 . . . . 61.15 111.134 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -43.39 85.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 64.24 110.989 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -89.44 6.78 39.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.35 111.541 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.889 . . . . 62.14 110.825 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.616 ' N3B' ' O ' ' A' ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.393 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.616 ' O ' ' N3B' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.571 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.805 0.336 . . . . 53.14 111.228 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -65.49 149.77 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 72.33 110.549 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -106.86 119.63 39.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 73.45 110.984 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.5 m-85 -107.66 108.59 19.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 74.31 110.815 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' HE3' ' HE1' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -92.33 98.37 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 75.53 111.025 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.786 HD22 HD13 ' A' ' 159' ' ' LEU . 39.0 mt -88.44 106.59 18.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 62.05 110.819 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.19 102.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.393 . . . . 74.51 110.959 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.13 123.17 37.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 63.42 111.273 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.0 m -122.32 150.36 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.949 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.32 176.95 39.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 53.12 112.476 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -96.96 135.74 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 75.33 111.208 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.99 114.46 1.85 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.956 -0.64 . . . . 55.31 112.629 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' HNB3 ' A' ' 201' ' ' GNP . . . 109.6 12.58 18.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 70.12 112.424 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 11' ' ' ALA . 29.1 m -98.61 -26.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 42.41 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.8 15.33 31.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 61.05 112.603 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' H ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.821 0.343 . . . . 72.24 110.735 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -81.56 -31.75 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 64.42 110.849 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' HE1' ' A' ' 28' ' ' PHE . . . -58.36 -49.74 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 42.42 111.285 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.963 HD22 HG13 ' A' ' 152' ' ' VAL . 74.4 mt -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 75.22 111.069 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.808 HG23 HG21 ' A' ' 55' ' ' ILE . 89.4 m -62.71 -58.6 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.358 -0.383 . . . . 64.21 111.01 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -58.7 -28.59 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.265 -0.425 . . . . 75.42 111.072 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -58.91 -48.15 82.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 61.21 110.795 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 tp -75.87 -10.46 59.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 72.5 111.221 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.1 mm -99.42 -69.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 73.14 111.337 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -97.24 -27.03 14.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 63.01 111.198 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.81 24.52 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.802 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 2.7 p-80 -105.29 -10.27 17.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 75.42 111.222 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' CZ ' " O2'" ' A' ' 201' ' ' GNP . 10.9 t80 74.7 127.9 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.302 -0.408 . . . . 74.21 111.069 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 32' ' ' TYR . 24.8 t -57.07 144.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.294 -0.412 . . . . 74.41 110.556 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 16.3 t70 174.88 -34.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.88 -0.6 . . . . 72.02 110.684 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.8 26.58 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.347 . . . . 73.25 111.111 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 29' ' ' VAL . 27.2 p90 -61.04 163.14 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 73.35 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.95 128.41 92.93 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 70.33 110.953 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.38 -40.69 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.431 2.087 . . . . 75.51 112.189 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -175.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 70.41 110.863 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt 46.58 -170.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.34 111.61 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.61 155.07 19.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.962 -0.563 . . . . 71.34 110.972 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.26 62.89 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.33 111.038 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -119.34 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 72.0 110.783 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -142.86 128.96 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.23 110.933 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' HB2' HD12 ' A' ' 52' ' ' LEU . 22.6 ptt180 -111.75 138.69 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 45.31 110.995 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -133.23 146.43 51.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.813 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -96.33 120.25 36.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.004 -0.544 . . . . 63.14 110.773 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.98 176.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.406 . . . . 64.22 111.29 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.9 t -122.41 100.84 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 70.33 110.887 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.582 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -116.49 132.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.152 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.87 35.77 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.15 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.29 35.59 79.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 74.43 112.547 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -147.38 110.31 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 73.32 110.871 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -59.03 119.93 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.754 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.5 m -142.31 148.84 38.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.051 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -85.77 137.96 32.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 72.13 110.745 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 53' ' ' LEU . 21.1 mt -107.91 76.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.991 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.92 90.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.837 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.808 HG21 HG23 ' A' ' 20' ' ' THR . 27.5 mm -77.2 112.74 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 70.01 111.038 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.956 HD21 ' CE1' ' A' ' 71' ' ' TYR . 1.1 tm? -106.27 114.52 28.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 70.31 110.427 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -112.82 135.41 53.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.814 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -80.31 -173.72 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.05 161.49 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 64.34 111.265 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.96 -28.91 5.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.126 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -123.08 134.28 54.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 63.21 110.47 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 62.15 116.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 65.4 110.703 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.54 108.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 63.13 110.964 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -154.15 -86.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 72.11 111.191 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.56 -50.1 33.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.791 0.329 . . . . 71.21 111.176 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.26 63.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.08 0.466 . . . . 74.01 110.934 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.801 ' HE3' ' N6 ' ' A' ' 203' ' ' KOB . 4.9 mmm -84.17 -22.63 30.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.636 -0.711 . . . . 73.12 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -53.79 -47.01 71.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 64.52 110.967 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -28.77 23.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.77 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.609 ' HG3' ' S7 ' ' A' ' 203' ' ' KOB . 13.3 tp60 -82.54 -46.35 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.879 -0.6 . . . . 72.11 110.61 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.956 ' CE1' HD21 ' A' ' 56' ' ' LEU . 53.6 m-85 -56.69 -38.69 72.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.312 -0.404 . . . . 73.31 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.438 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -68.76 -53.01 24.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 54.54 110.206 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -64.72 -16.74 63.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.826 -0.624 . . . . 75.45 111.14 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.69 ' CB ' ' HE1' ' A' ' 203' ' ' KOB . 73.7 p -103.1 -0.77 30.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.375 -0.375 . . . . 73.53 111.126 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.43 157.61 15.01 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.549 -0.834 . . . . 71.53 112.947 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.8 -18.38 17.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 62.44 110.984 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.78 175.77 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 75.1 112.376 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CE1' HG23 ' A' ' 100' ' ' ILE . 30.1 m-85 -141.36 140.35 33.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 72.3 111.148 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -119.95 121.73 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.501 . . . . 60.45 110.791 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 50.9 m -96.08 114.03 25.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 75.04 110.916 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -113.4 113.73 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 63.15 111.047 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.3 p90 -128.1 143.68 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.854 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 124.75 33.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 62.21 111.072 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' A' ' 123' ' ' ARG . 5.6 pt -58.54 -31.12 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 74.34 110.944 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 122' ' ' ALA . 3.2 m120 -67.63 -17.56 64.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.895 -0.593 . . . . 62.33 111.035 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -120.3 110.31 16.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.406 -0.361 . . . . 62.41 110.808 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.425 HG23 HG22 ' A' ' 125' ' ' VAL . 4.4 m -69.43 -25.81 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 75.03 111.153 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -61.4 -42.27 98.45 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.429 -0.35 . . . . 63.5 110.663 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -32.39 73.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.752 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -63.31 -51.99 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 63.34 110.773 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.17 -27.82 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.98 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 13.9 m-20 -70.6 -34.03 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 65.44 110.909 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 30.6 mm -60.03 -26.82 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 63.54 110.947 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -74.68 -55.46 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 72.44 110.762 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -65.87 -28.66 69.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.11 111.063 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.5 m-85 -58.99 -36.66 75.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 63.23 110.9 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 0.0 OUTLIER -66.08 -35.82 81.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 71.34 110.706 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.95 -30.42 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.931 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -76.19 -37.01 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.628 HG23 ' CE1' ' A' ' 78' ' ' PHE . 47.4 mt -70.01 -46.82 71.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.981 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -57.22 -34.57 68.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.967 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -58.94 5.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.973 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 72' ' ' MET . 43.9 t -62.12 -52.23 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.967 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -26.49 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.6 t0 64.16 42.61 5.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 64.51 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -164.91 154.78 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.5 110.871 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -41.03 15.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.891 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.93 88.49 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.897 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.57 153.62 47.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 63.12 111.154 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.77 104.18 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 71.43 112.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.669 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.2 ptp -153.24 169.2 23.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -144.33 148.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 63.12 111.213 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 82' ' ' PHE . 3.6 tp -112.02 110.54 20.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.51 110.812 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.724 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.3 t -98.96 154.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.234 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -119.05 80.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.815 -0.707 . . . . 60.45 112.401 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -59.13 167.06 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 75.52 111.096 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.488 ' HG2' HD12 ' A' ' 120' ' ' LEU . 0.6 OUTLIER 61.05 63.43 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.958 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.7 t -105.47 5.7 31.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.4 111.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.28 -29.79 8.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.823 0.344 . . . . 75.52 110.907 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.542 HD21 ' N2 ' ' A' ' 201' ' ' GNP . 28.5 mt -55.51 150.14 12.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 55.32 111.056 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.63 35.92 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 60.24 111.156 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.453 ' HB3' ' ND2' ' A' ' 85' ' ' ASN . . . -143.2 52.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.33 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.747 ' CB ' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -74.8 139.22 43.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.04 110.925 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.6 p -111.86 -38.45 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.765 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 87' ' ' THR . 77.5 t -104.96 97.91 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.44 110.913 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.43 159.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.107 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 t -58.22 -48.49 80.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.315 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.31 -34.42 33.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 73.32 111.233 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -34.51 78.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.64 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.51 -34.58 41.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 65.42 110.852 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.696 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.92 -46.53 87.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.691 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.66 -45.8 60.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.637 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.77 93.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.521 . . . . 54.24 111.036 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -40.96 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.827 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -73.58 -30.35 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 54.32 110.729 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.435 ' CD2' ' HD3' ' A' ' 97' ' ' ARG . 3.8 m-30 -77.31 -24.57 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 73.45 111.047 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.87 17.53 65.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 53.31 112.639 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -114.71 156.94 44.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 64.53 111.538 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.11 155.5 61.23 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.541 2.161 . . . . 63.0 112.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -123.21 117.47 25.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.632 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 158' ' ' THR . 3.4 mp -122.46 152.41 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.137 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -116.87 133.29 56.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.773 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 151' ' ' GLY . 35.1 p -141.91 173.25 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 65.52 111.248 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.17 118.94 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 32.15 110.67 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.424 ' HB2' ' HG ' ' A' ' 19' ' ' LEU . . . -72.44 -21.59 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.516 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -82.96 -52.47 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 71.13 111.174 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 p -87.19 -19.24 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 65.15 111.397 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 152' ' ' VAL . 2.5 tmm_? 63.13 63.68 0.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.946 0.403 . . . . 74.35 110.659 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.97 117.74 29.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 71.25 111.022 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 144' ' ' THR . . . 67.91 11.54 60.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.796 -0.716 . . . . 73.34 113.035 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.963 HG13 HD22 ' A' ' 19' ' ' LEU . 41.2 t -56.92 -41.31 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-O 120.84 0.352 . . . . 52.21 111.298 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 4.6 mt-10 -69.74 -30.53 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.889 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -55.68 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 61.04 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.724 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -52.74 -42.45 64.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.086 -0.507 . . . . 72.12 111.379 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -67.11 -50.77 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 19.2 m-85 -57.24 -25.54 59.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 73.14 111.081 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 142' ' ' ILE . 6.5 m -57.5 -50.59 72.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 73.35 111.115 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.786 HD13 HD22 ' A' ' 6' ' ' LEU . 1.1 mt -53.87 -38.08 64.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.832 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 46' ' ' ILE . 39.9 t -58.41 -46.13 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 73.03 110.946 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.19 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.2 110.735 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.14 -51.01 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 72.2 110.848 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.555 HD11 HD22 ' A' ' 159' ' ' LEU . 55.1 mt -59.9 -44.37 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.029 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -30.23 71.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 72.02 110.799 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -104.12 25.27 10.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.037 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.256 -0.878 . . . . 74.0 111.031 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.542 ' N2 ' HD21 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.387 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.788 0.328 . . . . 72.31 111.162 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.89 21.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.749 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.3 113.01 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -102.92 129.02 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.025 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.772 ' HE3' ' HE2' ' A' ' 203' ' ' KOB . 11.7 mmtm -102.42 106.06 16.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 64.11 110.79 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD12 ' CD1' ' A' ' 55' ' ' ILE . 15.1 mt -95.54 109.4 21.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.143 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 6.1 t -88.38 102.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 54.54 110.887 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -80.91 129.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 72.2 111.268 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.694 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.3 m -138.2 154.5 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.042 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -171.15 -163.95 26.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.721 -0.752 . . . . 44.05 112.486 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.728 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -98.29 22.31 9.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.702 0.287 . . . . 61.11 111.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.19 -62.54 1.75 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.814 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.19 38.31 3.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 60.45 112.833 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.728 HG13 ' HB3' ' A' ' 11' ' ' ALA . 32.6 m -111.07 -27.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 71.01 111.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.94 26.23 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 74.54 112.494 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -65.03 -32.9 74.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.774 0.321 . . . . 72.22 110.816 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 303' ' ' HOH . 5.5 p -74.21 -30.57 62.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 53.32 110.876 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -68.18 -52.7 31.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.125 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG21 ' A' ' 81' ' ' VAL . 98.8 mt -57.21 -30.35 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.107 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.66 HG23 HG21 ' A' ' 55' ' ' ILE . 85.1 m -65.83 -48.25 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 41.13 110.93 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.615 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.6 mp -76.29 -31.37 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.765 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -61.21 -33.5 73.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 64.41 110.797 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -76.83 -48.37 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.938 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.4 mm -72.28 -69.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 64.23 111.228 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -84.14 -119.62 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.393 -0.367 . . . . 72.03 110.685 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 p30 179.69 39.06 0.0 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.301 0.501 . . . . 74.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' CE1' HG21 ' A' ' 21' ' ' ILE . 1.9 p-80 -141.66 175.99 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.418 . . . . 71.12 110.795 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 7.4 t80 -89.74 128.95 36.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.704 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG13 ' CD1' ' A' ' 32' ' ' TYR . 19.9 t -55.6 145.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.015 0.436 . . . . 75.45 110.998 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.3 t70 177.2 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.766 -0.652 . . . . 63.53 110.439 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -116.44 77.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.109 -0.496 . . . . 74.15 110.857 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.547 ' CD1' HG13 ' A' ' 29' ' ' VAL . 8.1 p90 -145.1 175.1 10.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.823 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.668 ' OD1' HD11 ' A' ' 36' ' ' ILE . 0.8 OUTLIER -104.84 91.64 4.46 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 75.21 111.003 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.26 -27.14 24.44 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 72.41 112.367 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m -54.55 -65.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 65.04 110.87 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.668 HD11 ' OD1' ' A' ' 33' ' ' ASP . 2.6 pp -76.85 -177.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 71.14 110.823 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' CG ' ' HAC' ' A' ' 203' ' ' KOB . 18.5 mp0 -98.32 94.76 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.38 . . . . 55.24 110.936 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -87.48 53.51 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 61.43 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.42 158.93 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 44.03 110.794 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.615 ' OH ' HD11 ' A' ' 21' ' ' ILE . 5.6 m-85 -128.77 158.28 39.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 74.42 110.741 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' HD12 ' A' ' 52' ' ' LEU . 52.2 mtm180 -138.43 106.4 5.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.973 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 52' ' ' LEU . 23.2 tttt -110.17 145.95 36.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.789 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -108.09 120.04 41.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.675 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.75 175.87 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 74.1 111.248 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.78 101.22 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 75.23 111.053 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 39.0 mt -115.83 137.33 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.087 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.63 16.98 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 51.34 111.258 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.69 -19.26 49.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.634 -0.793 . . . . 54.33 112.917 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -103.47 154.51 19.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 72.45 111.05 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -90.02 130.31 36.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 73.32 110.691 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 m -150.48 147.03 27.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 60.43 111.053 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -80.3 159.12 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 62.24 110.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.8 mt -127.27 91.19 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.938 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -79.8 100.92 8.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.805 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.75 ' CD1' HD12 ' A' ' 6' ' ' LEU . 11.5 mm -85.26 108.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 70.12 111.213 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' A' ' 71' ' ' TYR . 20.5 tp -90.26 123.51 34.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 65.12 110.664 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -113.46 86.34 2.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.058 -0.519 . . . . 73.22 110.895 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' CD2' ' A' ' 71' ' ' TYR . 26.2 p -75.48 179.45 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.0 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.14 116.85 7.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 42.01 111.163 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.6 -32.66 74.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 63.21 112.363 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.31 2.43 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.649 0.261 . . . . 53.31 111.317 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.46 35.14 12.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 73.43 111.082 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -60.93 -33.17 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.894 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 1.4 m-85 -105.62 85.44 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 60.14 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 p -74.97 -45.48 41.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 71.04 110.978 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.04 -39.28 74.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 65.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 64' ' ' TYR . 3.5 mtm -81.76 -23.25 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.98 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -53.02 -47.08 68.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 75.4 111.059 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -40.52 85.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.786 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.874 ' O ' HG23 ' A' ' 74' ' ' THR . 4.8 tp60 -58.55 -42.32 87.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.819 ' CD1' HD21 ' A' ' 56' ' ' LEU . 19.4 m-85 -59.39 -36.11 75.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 75.51 110.777 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.872 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.9 mtt -67.81 -41.99 82.26 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.594 -0.521 . . . . 63.33 109.594 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HG2' HG13 ' A' ' 103' ' ' VAL . 50.1 mtm180 -73.88 -11.84 60.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 61.34 111.007 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 70' ' ' GLN . 67.1 p -99.49 -30.5 12.13 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.958 0.409 . . . . 73.52 110.717 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -87.32 155.97 27.73 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.868 -0.682 . . . . 62.42 113.998 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.92 1.32 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.401 -0.4 . . . . 72.12 110.614 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.3 140.73 5.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.132 -0.556 . . . . 45.51 111.947 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 100' ' ' ILE . 9.7 m-85 -112.89 153.82 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 73.33 111.427 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -121.56 112.96 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.815 -0.629 . . . . 74.53 110.817 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.731 ' HB3' HD12 ' A' ' 93' ' ' ILE . 34.5 m -91.38 103.1 15.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 52.1 110.81 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 9' ' ' VAL . 6.2 p -112.16 130.99 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 71.12 111.146 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' HA ' HG11 ' A' ' 14' ' ' VAL . 3.7 p90 -142.27 162.41 35.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 63.42 110.811 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.27 123.7 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 53.53 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.5 pt -60.56 -24.26 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 72.22 111.086 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -73.58 -30.7 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 43.21 110.809 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -107.96 112.62 25.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.92 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.401 ' HA ' HG21 ' A' ' 125' ' ' VAL . 37.3 m -70.09 -27.18 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.94 -30.06 70.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.248 -0.433 . . . . 64.44 110.606 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.462 ' HB3' HG11 ' A' ' 14' ' ' VAL . 14.2 m -71.79 -40.25 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.567 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -63.77 -28.22 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.71 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.19 -29.32 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 74.34 110.932 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -75.97 -31.59 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 54.43 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 80' ' ' CYS . 26.4 mm -60.65 -30.48 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 73.03 110.945 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -71.73 -55.38 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.906 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -65.55 -28.46 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 70.24 111.174 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 100' ' ' ILE . 2.8 m-85 -58.87 -36.08 74.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 73.31 111.029 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 137' ' ' TYR . 1.9 ttt180 -65.11 -35.29 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 73.4 110.761 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.88 -29.97 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.53 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 51.01 110.888 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 96' ' ' TYR . 2.8 mp -61.35 -41.61 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -55.35 -34.31 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.93 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -71.81 -57.79 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.604 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.872 HG11 ' HB2' ' A' ' 72' ' ' MET . 57.5 t -56.55 -53.9 35.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 72.12 110.995 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -63.74 -24.16 67.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 71.21 110.918 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 t0 63.97 40.92 6.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 63.31 110.755 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 144.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 44.45 110.878 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.93 -39.84 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 71.13 110.886 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -77.79 94.52 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.918 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG11 ' CB ' ' A' ' 104' ' ' LYS . 34.1 m -136.42 154.74 77.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 62.32 111.175 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 101.05 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 73.34 112.338 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.6 mtm -134.31 169.36 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.73 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 159' ' ' LEU . 12.6 t -144.99 155.79 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 73.22 111.179 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.879 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.1 tp -130.77 108.6 9.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.25 111.0 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.862 HG21 ' HB1' ' A' ' 155' ' ' ALA . 37.1 t -111.34 141.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.11 111.149 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.1 84.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.801 -0.714 . . . . 64.54 112.435 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.81 165.17 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 74.44 110.986 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 mttp 60.77 74.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 t -107.34 -22.79 12.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 32.35 111.138 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.5 -29.79 52.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 63.45 111.154 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.6 mt -50.22 152.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 73.05 111.183 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.71 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.304 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.04 66.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.676 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -86.12 109.15 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.782 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 36.7 p -80.84 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.574 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 87' ' ' THR . 39.5 t -77.18 109.28 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 75.34 110.902 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.43 157.89 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.34 111.052 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.7 p -66.5 -38.67 87.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 64.22 111.014 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -56.37 -43.42 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -67.02 -37.84 84.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.09 -36.53 69.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.41 111.129 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -29.51 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.3 110.944 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.2 -41.55 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 71.22 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.612 HD11 ' CE1' ' A' ' 137' ' ' TYR . 17.9 tp -73.33 -51.41 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.879 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.41 -44.95 85.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 71.45 111.167 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -41.63 87.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.845 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.8 m -73.23 -38.0 66.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.685 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.612 ' CE1' HD11 ' A' ' 133' ' ' LEU . 2.7 m-30 -63.04 -25.34 68.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 73.42 111.009 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.78 12.96 60.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 70.42 112.672 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.64 154.91 44.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.744 0.307 . . . . 64.13 111.313 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.48 158.71 53.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.575 2.183 . . . . 74.52 112.333 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -122.23 116.37 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.849 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 1.151 HD11 HG21 ' A' ' 158' ' ' THR . 2.6 mp -118.24 153.69 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.13 110.955 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -119.9 120.56 36.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.41 -0.359 . . . . 71.34 110.96 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 67.0 p -132.23 170.17 15.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 71.23 111.162 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.2 p -141.3 112.24 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 75.5 110.804 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.634 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -63.79 -25.21 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.41 111.544 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -83.17 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 72.43 111.338 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 5.8 p -70.16 -21.58 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 54.14 111.312 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 152' ' ' VAL . 0.0 OUTLIER 63.64 72.26 0.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 74.15 110.662 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 144' ' ' THR . 2.7 tt0 -126.85 122.08 33.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 53.12 110.857 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 60.71 17.01 48.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 75.35 112.908 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 149' ' ' ARG . 24.2 t -52.23 -55.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.832 0.348 . . . . 72.24 111.044 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.0 OUTLIER -62.9 -27.57 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.749 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -49.39 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.949 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.862 ' HB1' HG21 ' A' ' 114' ' ' VAL . . . -58.68 -45.86 88.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 72.42 111.28 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.45 -51.91 66.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 53.12 111.135 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 20.9 m-85 -54.74 -32.37 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 74.22 111.035 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 1.151 HG21 HD11 ' A' ' 142' ' ' ILE . 3.3 m -57.84 -43.65 86.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 64.34 110.897 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.509 HD13 HG23 ' A' ' 112' ' ' VAL . 32.2 tp -59.0 -42.46 90.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.666 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.7 t -51.7 -56.55 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.021 -0.536 . . . . 53.45 111.259 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -34.96 71.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.191 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.73 -49.47 62.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.328 -0.396 . . . . 74.12 111.081 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.415 HD11 ' HG ' ' A' ' 159' ' ' LEU . 78.2 mt -55.86 -35.35 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.385 -0.37 . . . . 52.11 111.169 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -30.61 69.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.691 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.27 27.53 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.31 111.064 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.275 -0.869 . . . . 75.44 110.972 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.465 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.39 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.436 ' O ' ' HB3' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.838 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.784 0.326 . . . . 71.12 111.251 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -92.2 149.77 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.821 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.02 115.32 30.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -106.1 120.53 42.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 74.15 111.072 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' CB ' ' HA2' ' A' ' 75' ' ' GLY . 2.8 mmtm -101.83 96.44 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.824 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.594 HD12 ' CD1' ' A' ' 55' ' ' ILE . 10.5 mt -87.82 116.14 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 70.2 111.126 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 71' ' ' TYR . 43.7 t -94.89 106.41 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.034 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 56' ' ' LEU . 7.6 p -79.33 147.68 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 72.34 111.307 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -154.91 148.33 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 62.31 111.073 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . 139.98 74.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.654 -0.784 . . . . 72.14 112.796 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . 55.9 -163.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.693 0.282 . . . . 74.22 111.197 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.89 0.03 6.63 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.757 -0.735 . . . . 74.35 113.136 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -10.72 10.22 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.691 -0.766 . . . . 70.2 112.71 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 11' ' ' ALA . 26.1 m -56.56 -31.59 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.348 . . . . 73.51 111.234 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.9 24.06 6.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 62.33 112.373 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HB2' HG21 ' A' ' 8' ' ' VAL . 3.7 pttm -59.04 -32.59 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 61.12 110.859 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -34.46 60.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.846 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -63.09 -58.13 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.084 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.605 HD23 ' ND2' ' A' ' 116' ' ' ASN . 3.2 pp -56.52 -26.38 54.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.033 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.934 HG23 HG21 ' A' ' 55' ' ' ILE . 93.7 m -69.68 -58.35 4.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 72.13 110.788 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' OH ' ' A' ' 40' ' ' TYR . 49.6 mm -57.52 -33.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.24 111.007 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -58.93 -44.98 91.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 71.01 110.756 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD13 ' CD2' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -76.58 -5.74 48.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 74.5 111.41 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.62 -70.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 72.52 111.042 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -97.26 -21.6 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 74.42 111.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 72.62 74.94 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CE1' HG21 ' A' ' 21' ' ' ILE . 12.7 p80 -176.44 158.19 1.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.927 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.5 OUTLIER -75.28 108.49 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.678 179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.23 150.43 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 54.14 111.275 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -160.96 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.95 91.22 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 61.32 110.816 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' OH ' ' N3B' ' A' ' 201' ' ' GNP . 38.5 p90 -146.15 172.85 12.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.89 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.555 ' HB2' HG21 ' A' ' 36' ' ' ILE . 55.1 m-20 -98.42 148.53 34.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.23 110.849 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.35 116.01 4.43 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.551 2.168 . . . . 71.35 112.418 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 55.34 88.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.981 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 33' ' ' ASP . 2.7 pp -147.87 -178.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 63.15 111.181 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -101.28 -89.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.658 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.516 ' OD2' HD13 ' A' ' 36' ' ' ILE . 13.8 m-20 46.68 41.05 9.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 61.31 111.34 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 p -53.78 161.99 1.0 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.037 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.655 ' OH ' HD11 ' A' ' 21' ' ' ILE . 6.8 m-85 -118.45 163.89 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.34 111.068 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -145.73 108.5 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.34 110.926 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -117.45 145.93 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -96.1 140.78 30.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.082 -0.508 . . . . 62.14 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 53' ' ' LEU . 31.2 m -150.93 158.75 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.066 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.65 100.87 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.058 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.4 mt -123.21 134.44 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.996 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 t70 64.5 32.86 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.86 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.46 26.81 62.5 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 74.13 112.574 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -143.16 110.56 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 72.23 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.5 m -58.14 127.72 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.869 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' SG ' HG22 ' A' ' 2' ' ' THR . 63.8 m -147.77 143.21 27.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 63.42 111.028 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.838 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.44 147.02 34.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.3 110.606 179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 44' ' ' VAL . 34.0 mt -117.22 103.03 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 72.24 111.006 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -96.12 99.86 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.81 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.934 HG21 HG23 ' A' ' 20' ' ' THR . 10.3 mm -86.07 108.53 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 72.24 111.031 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.737 ' O ' HG12 ' A' ' 8' ' ' VAL . 2.1 tt -85.24 127.28 34.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 43.34 110.981 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' N ' HD23 ' A' ' 56' ' ' LEU . 30.6 t0 -109.59 88.22 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.45 110.718 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.571 ' CG2' HD22 ' A' ' 56' ' ' LEU . 12.9 p -80.55 -176.3 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.013 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 162.49 13.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 60.41 111.185 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.73 56.64 5.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 73.35 112.599 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 43.17 81.68 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.851 0.357 . . . . 73.0 111.601 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -118.38 -47.47 2.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.807 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER 178.88 85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.698 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CG ' ' HG3' ' A' ' 67' ' ' MET . 0.5 OUTLIER 178.29 45.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.944 -0.571 . . . . 75.43 110.693 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -28.86 46.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 52.03 111.015 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.48 69.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 70.54 110.987 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.572 ' CE ' ' N6 ' ' A' ' 203' ' ' KOB . 3.1 mmt -83.45 -29.37 28.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.605 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -55.14 23.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.394 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -48.92 -34.94 13.81 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.199 0.524 . . . . 73.02 110.296 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.859 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 0.9 OUTLIER -60.63 -62.43 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.431 -0.804 . . . . 73.32 111.606 179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.664 ' CD1' HD11 ' A' ' 56' ' ' LEU . 37.9 m-85 -49.1 -27.72 3.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.12 -0.945 . . . . 74.44 111.092 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.842 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -73.98 -42.55 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.122 0.487 . . . . 72.21 109.707 178.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.414 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 5.9 mtp-105 -81.65 -18.7 43.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.628 -0.714 . . . . 64.34 111.591 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 71' ' ' TYR . 43.7 p -97.68 -16.12 20.09 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.736 0.303 . . . . 75.11 111.052 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 5' ' ' LYS . . . -95.8 162.32 23.12 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.627 -0.797 . . . . 42.31 113.167 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -104.74 -15.2 15.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 75.45 111.046 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.61 -173.28 21.24 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.871 -0.681 . . . . 61.31 112.273 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 100' ' ' ILE . 82.4 m-85 -151.76 129.36 11.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.21 111.043 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.877 HD12 HD22 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -114.86 120.53 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 62.31 110.842 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.871 ' HB3' HD12 ' A' ' 93' ' ' ILE . 23.2 m -94.65 109.71 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.873 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 HD21 ' A' ' 19' ' ' LEU . 39.4 t -105.01 113.14 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.165 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.638 ' CD1' HD11 ' A' ' 113' ' ' LEU . 15.2 p90 -125.4 139.99 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.42 110.771 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.16 123.73 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 64.2 111.085 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.4 pt -58.74 -26.5 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 72.43 111.111 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 122' ' ' ALA . 17.6 t-20 -76.89 -30.28 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.897 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.1 109.9 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.605 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -70.42 -20.68 62.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.21 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.1 -46.55 80.63 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.822 0.344 . . . . 65.4 110.652 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.94 -31.01 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 74.35 110.727 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -61.55 -53.01 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 64.11 110.87 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.39 -28.81 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 65.22 111.1 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.4 OUTLIER -67.74 -31.51 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 71.41 110.962 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.871 HD12 ' HB3' ' A' ' 80' ' ' CYS . 29.5 mm -61.46 -28.36 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 74.41 110.913 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -74.13 -55.34 6.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.43 110.822 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.74 -28.62 68.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 44.01 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 3.0 m-85 -64.98 -47.01 79.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.409 . . . . 65.32 110.831 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -37.14 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.945 -0.57 . . . . 74.45 110.95 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.06 -36.16 83.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 71.03 110.984 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -32.98 73.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 72.34 111.003 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.445 HG23 ' CE1' ' A' ' 78' ' ' PHE . 34.2 mt -74.03 -44.44 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 63.1 111.117 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -41.55 65.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 75.44 110.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -58.85 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 65.54 110.81 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.842 HG11 ' HB2' ' A' ' 72' ' ' MET . 60.1 t -56.65 -64.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.074 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -59.12 -25.33 63.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.729 . . . . 71.24 110.935 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.7 t0 61.59 45.77 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 62.34 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 t -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 71.11 110.838 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -81.49 -33.46 31.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.25 110.956 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.48 85.41 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.004 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -119.14 153.63 53.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 52.11 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.23 109.05 2.63 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.563 2.175 . . . . 74.32 112.489 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.645 ' HG3' HG21 ' A' ' 139' ' ' ILE . 12.5 ptp -156.37 168.52 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.2 110.885 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 140' ' ' PRO . 22.2 t -145.57 153.82 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.21 111.327 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.638 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.2 tp -115.75 116.57 28.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.715 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.4 t -113.21 146.28 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 65.44 111.24 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.28 85.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.861 -0.685 . . . . 75.55 112.381 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.664 HD21 ' HB2' ' A' ' 146' ' ' ALA . 1.8 t-20 -62.29 175.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 60.51 111.037 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.503 ' O ' HD11 ' A' ' 84' ' ' ILE . 2.7 tttt 60.48 47.93 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 71.03 111.042 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 13.4 t -105.94 19.71 20.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 53.04 111.267 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -115.97 -15.11 11.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.535 -0.302 . . . . 63.43 111.752 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.429 HD13 ' CE ' ' A' ' 117' ' ' LYS . 0.7 OUTLIER -89.02 170.57 10.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 70.42 111.101 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.77 50.67 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 55.51 111.162 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 85' ' ' ASN . . . -148.12 72.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.012 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.71 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -102.12 106.89 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.22 110.785 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.9 p -83.58 -48.57 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 62.42 110.615 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 87' ' ' THR . 61.0 t -94.15 95.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 72.2 110.778 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.94 157.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.178 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.11 -39.5 86.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 51.44 111.028 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -53.01 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.12 -45.11 71.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 71.2 111.091 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.92 -33.27 68.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 61.04 111.158 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -42.78 95.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.925 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.67 -35.77 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.946 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.28 -51.37 17.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.06 -46.56 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.092 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -28.7 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.34 111.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -73.31 -37.54 66.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 44.5 110.755 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -76.28 -22.16 55.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 75.1 111.021 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.59 61.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 44.14 112.508 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.645 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.6 pt -110.92 156.86 40.1 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 74.33 111.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.638 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.4 Cg_endo -71.35 153.93 61.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.541 2.161 . . . . 74.23 112.41 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -123.63 104.29 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 74.21 110.704 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.91 HD11 HG21 ' A' ' 158' ' ' THR . 4.1 mp -104.33 150.96 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.51 129.92 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 60.41 110.736 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.1 p -143.89 -177.37 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.25 111.047 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.601 ' HB3' HG22 ' A' ' 148' ' ' THR . 1.5 t -144.78 124.8 13.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 62.02 110.738 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.664 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -76.82 -14.49 59.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 54.44 111.514 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.31 19.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 64.31 111.373 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 145' ' ' SER . 1.2 t -111.87 -24.64 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.736 0.303 . . . . 73.42 111.288 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.515 ' HA ' HG21 ' A' ' 152' ' ' VAL . 1.4 tmm_? 72.22 45.62 0.37 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.909 0.385 . . . . 71.34 110.673 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -102.18 117.2 34.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.02 111.232 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.25 11.22 58.69 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.999 -0.62 . . . . 70.14 113.338 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 149' ' ' ARG . 90.1 t -58.57 -36.53 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.924 0.362 . . . . 73.4 111.216 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 1.4 mt-10 -72.77 -32.83 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.03 110.915 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -52.63 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.715 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -51.1 -52.36 44.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.414 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.689 ' CD2' HD13 ' A' ' 23' ' ' LEU . 26.0 m-85 -59.24 -51.25 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 72.12 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.6 m-85 -55.25 -32.0 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.967 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.91 HG21 HD11 ' A' ' 142' ' ' ILE . 4.5 m -58.71 -44.37 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 64.25 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.877 HD22 HD12 ' A' ' 79' ' ' LEU . 35.3 tp -60.68 -41.32 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.058 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 46' ' ' ILE . 60.8 t -54.69 -43.68 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 71.21 111.086 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -70.55 -27.08 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.7 -48.04 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 64.11 111.125 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.411 HD11 ' HG ' ' A' ' 159' ' ' LEU . 61.7 mt -63.01 -38.87 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.357 -0.383 . . . . 72.41 111.202 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.9 41.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.3 -29.49 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 53.31 111.016 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.263 -0.875 . . . . 75.02 110.857 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.923 " H3'" ' O2A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.415 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.674 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.988 0.423 . . . . 51.2 111.346 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 146.66 37.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.804 -0.635 . . . . 72.45 110.842 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -104.12 118.92 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.736 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.34 117.35 33.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.162 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -84.48 106.92 16.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 74.41 110.747 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HB2' HD13 ' A' ' 55' ' ' ILE . 4.1 mm? -96.62 95.29 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 74.02 110.869 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.54 108.24 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 70.53 111.112 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.35 140.12 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.004 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.92 -177.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 70.43 111.062 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 129.84 157.61 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 33.31 112.353 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -55.83 151.15 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 44.4 111.022 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.75 -24.55 13.17 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.807 -0.711 . . . . 43.21 112.733 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.04 65.7 0.26 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.652 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 11' ' ' ALA . 32.8 m -140.8 16.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.621 0.248 . . . . 73.23 111.462 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . 54.36 25.71 34.62 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.726 -0.749 . . . . 62.45 112.675 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -44.86 91.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 72.35 110.838 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -69.22 -25.26 64.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 54.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -56.32 -50.76 70.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 72.2 111.326 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.13 -34.58 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 64.1 110.962 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.639 HG21 ' HB2' ' A' ' 57' ' ' ASP . 4.8 m -57.64 -56.3 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 62.33 111.188 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.79 -33.51 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.291 -0.413 . . . . 54.42 110.783 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.45 -50.81 57.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 65.13 110.857 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 23' ' ' LEU . 2.3 tm? -65.24 -52.07 56.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 64.52 110.822 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.19 -56.43 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.945 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -105.8 -129.4 0.27 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.163 -0.471 . . . . 64.15 110.152 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.45 39.86 0.0 OUTLIER 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.081 -0.387 . . . . 62.44 110.846 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 12.2 p80 -126.24 -8.63 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 72.53 111.681 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' A' ' 27' ' ' HIS . 17.4 t80 75.47 140.61 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.753 0.311 . . . . 63.42 110.668 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.2 153.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 70.12 111.303 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -179.37 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.813 -0.631 . . . . 51.43 110.724 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -153.88 123.6 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 73.15 110.807 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -144.96 152.16 39.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.757 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.1 126.35 85.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.51 110.872 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.87 -19.74 15.83 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.502 2.135 . . . . 72.44 112.47 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.2 m -58.83 -29.54 66.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 74.12 111.078 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.557 HD12 ' H ' ' A' ' 38' ' ' ASP . 1.2 pt -103.06 179.29 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.459 . . . . 71.03 111.429 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -92.79 14.14 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.697 -0.683 . . . . 73.3 111.608 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' H ' HD12 ' A' ' 36' ' ' ILE . 59.9 m-20 56.87 25.0 9.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 61.54 111.442 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.8 t -93.98 149.47 21.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.397 . . . . 63.35 110.993 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -145.04 174.4 11.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.736 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -146.3 132.07 19.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 74.15 110.836 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -122.65 148.25 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.898 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.624 ' HG3' HD22 ' A' ' 52' ' ' LEU . 31.7 tt0 -104.24 122.16 44.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 62.35 110.727 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.17 177.69 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 74.15 111.264 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.76 101.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.33 111.001 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.605 ' CD1' HG11 ' A' ' 160' ' ' VAL . 31.3 mt -115.33 137.76 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.01 111.15 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 t0 60.69 34.04 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.852 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.03 28.24 68.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 63.24 112.508 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.97 114.29 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 55.33 110.938 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.4 m -62.31 122.47 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.88 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.9 m -145.25 150.8 37.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.842 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.674 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -83.81 147.83 27.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.869 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 46' ' ' ILE . 62.4 mt -124.0 95.55 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.758 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 96.63 9.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.921 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.663 HD13 ' HB2' ' A' ' 6' ' ' LEU . 11.7 mm -89.68 108.56 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 74.4 111.055 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD11 ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -93.51 130.59 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.508 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.639 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.3 t70 -115.32 105.41 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 61.14 110.901 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.0 p -75.49 -174.44 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.762 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.9 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -132.19 162.76 30.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 70.45 111.176 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.52 9.56 73.87 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.331 -0.938 . . . . 55.34 112.78 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' O ' ' CE1' ' A' ' 64' ' ' TYR . 10.4 pt20 -144.14 -49.83 0.29 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.777 0.322 . . . . 71.32 110.972 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.9 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 2.1 tt0 -109.4 149.93 28.81 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 71.11 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 49.78 75.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.135 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -177.54 -167.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 73.25 111.047 -179.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.68 -89.65 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.928 -0.578 . . . . 41.24 111.477 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -54.77 -45.43 74.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.049 0.452 . . . . 72.1 110.93 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 1.12 ' HE2' ' H4 ' ' A' ' 203' ' ' KOB . 63.6 mtp -83.54 -21.99 32.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 62.31 110.893 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -50.82 -37.86 45.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.829 0.347 . . . . 72.23 110.499 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -33.81 75.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 71.25 110.296 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 74' ' ' THR . 4.1 tp60 -69.82 -41.29 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 75.23 110.36 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' HD11 ' A' ' 56' ' ' LEU . 14.1 m-85 -58.57 -39.1 79.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.2 mtt -63.5 -37.03 85.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 61.03 110.335 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -81.17 -10.15 59.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.754 -0.657 . . . . 71.22 111.052 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 70' ' ' GLN . 42.7 p -102.07 -20.62 14.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.433 -0.349 . . . . 54.33 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -103.7 169.18 17.89 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.607 -0.806 . . . . 35.02 113.025 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -111.04 -15.18 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.7 0.286 . . . . 71.5 111.1 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.69 -176.86 19.06 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.768 -0.729 . . . . 54.34 112.356 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CE1' HG23 ' A' ' 100' ' ' ILE . 57.4 m-85 -154.65 140.7 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 73.13 110.993 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD12 HD22 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -119.61 127.27 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.865 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 21.8 m -97.71 113.71 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.43 110.91 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -107.09 117.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.89 153.79 45.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.522 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.72 123.62 41.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.401 -0.363 . . . . 62.51 111.086 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 123' ' ' ARG . 3.1 pt -60.35 -21.83 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.14 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.449 ' OD1' HD12 ' A' ' 120' ' ' LEU . 0.7 OUTLIER -83.3 -31.36 26.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 71.35 110.792 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -98.97 111.79 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.956 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.4 m -72.45 -28.5 62.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.858 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -61.64 -40.09 93.65 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.596 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.6 m -61.38 -31.35 71.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.776 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 125' ' ' VAL . 9.6 t80 -60.47 -52.87 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.828 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.17 -28.07 64.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 71.11 110.929 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 13.9 m-20 -71.69 -32.35 67.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 75.11 110.834 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 27.3 mm -60.65 -30.93 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 55.14 110.76 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -71.24 -55.43 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.936 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -66.45 -30.12 70.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.32 111.064 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -59.4 -44.71 92.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 72.24 110.874 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -64.15 -33.58 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.929 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.54 -32.71 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.952 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -39.93 81.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.857 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 111' ' ' MET . 53.7 mt -65.85 -46.66 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.03 111.023 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -32.98 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 64.12 110.978 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -58.63 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.822 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 72' ' ' MET . 36.8 t -63.78 -53.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.019 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -62.48 -27.68 69.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 72.11 110.964 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.3 t70 63.84 44.93 4.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 43.41 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -164.31 151.9 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.52 -37.11 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.908 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -96.03 89.79 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 44.24 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.35 153.31 50.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.04 109.25 2.51 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.583 2.189 . . . . 60.3 112.342 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.782 ' HG3' HG21 ' A' ' 139' ' ' ILE . 7.5 ptp -158.5 169.08 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.947 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.3 t -145.23 149.96 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.24 111.165 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 80' ' ' CYS . 7.9 tp -109.08 108.95 19.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.54 110.778 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.75 HG22 ' HB1' ' A' ' 155' ' ' ALA . 17.5 t -100.12 143.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.249 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.77 85.42 0.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.828 -0.701 . . . . 52.52 112.374 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.518 HD21 ' HB2' ' A' ' 146' ' ' ALA . 14.3 t-20 -61.61 168.62 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 62.2 111.017 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER 60.98 61.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 64.34 111.005 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.2 t -101.85 3.62 39.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 62.31 111.365 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -110.59 -18.6 13.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.663 0.268 . . . . 71.35 111.221 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 120' ' ' LEU . 7.6 mt -50.71 175.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 73.04 111.096 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.47 23.65 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 62.54 111.402 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.84 60.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 64.25 111.156 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.596 ' HB3' HD12 ' A' ' 84' ' ' ILE . 7.4 ptp85 -84.26 144.11 29.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 53.31 110.989 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -111.35 -47.19 3.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 51.54 110.78 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 90' ' ' PHE . 44.0 t -94.54 106.2 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.31 163.41 15.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 64.5 110.921 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 m -59.35 -30.3 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.056 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -56.46 -48.7 76.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -59.41 -42.95 92.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 73.01 111.069 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.51 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 64.55 111.255 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -36.92 82.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 70.43 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.55 -41.35 98.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 54.53 110.948 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.404 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.0 tp -74.37 -51.47 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.98 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.18 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.31 111.23 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.985 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -72.84 -39.15 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.627 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.404 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 19.3 m-85 -70.65 -23.32 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 74.54 110.943 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.75 16.54 63.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 62.54 112.566 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.782 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.8 pt -110.79 156.8 40.08 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.776 0.322 . . . . 65.23 111.476 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.458 ' HG2' HG13 ' A' ' 112' ' ' VAL . 55.9 Cg_endo -71.54 156.35 58.07 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.609 2.206 . . . . 61.05 112.274 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -127.78 118.29 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.936 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.889 HD11 HG21 ' A' ' 158' ' ' THR . 5.1 mp -119.9 150.94 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.022 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -118.04 128.86 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 64.42 110.625 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.1 p -138.31 174.08 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 65.03 111.227 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.93 124.75 23.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 71.43 110.776 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.718 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -77.06 -8.67 57.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 61.3 111.491 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -97.36 -54.7 3.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 62.34 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -85.92 -21.58 27.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 72.12 111.284 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.79 66.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.943 0.401 . . . . 72.33 110.659 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -117.65 103.38 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 72.24 111.074 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 144' ' ' THR . . . 78.13 16.49 79.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.797 -0.716 . . . . 73.2 112.974 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.15 -54.17 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 120.827 0.346 . . . . 61.23 111.129 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 3.7 mt-10 -62.65 -30.15 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 61.15 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.07 -54.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.957 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.75 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -50.12 -39.8 44.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 72.21 111.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -72.75 -46.73 51.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.71 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 m-85 -57.7 -29.24 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 61.23 111.045 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.889 HG21 HD11 ' A' ' 142' ' ' ILE . 85.9 m -59.68 -44.02 93.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.992 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 6' ' ' LEU . 21.4 tp -66.44 -34.84 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 65.01 111.125 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 46' ' ' ILE . 44.8 t -56.59 -39.7 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.396 -0.365 . . . . 60.12 111.101 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -72.17 -29.1 63.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.3 110.804 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.53 -50.81 23.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 63.02 110.967 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.54 -37.22 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.168 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -62.61 -37.04 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.794 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -78.15 -29.26 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 64.52 110.849 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.252 -0.88 . . . . 72.21 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.448 ' N7 ' ' HE3' ' A' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.328 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.593 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.955 0.407 . . . . 74.22 111.299 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.94 143.02 57.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 74.43 110.784 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.49 123.29 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 73.25 110.677 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -110.33 139.21 45.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 72.2 111.075 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 99.26 8.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 72.23 110.688 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -93.12 97.87 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 65.15 110.777 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG13 HD12 ' A' ' 56' ' ' LEU . 43.6 t -80.18 137.11 22.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 74.12 111.038 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.22 146.86 24.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 64.34 111.417 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 79' ' ' LEU . 4.9 m -125.66 164.93 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 50.31 110.708 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.73 162.28 30.3 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.496 -0.859 . . . . 60.03 112.733 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.21 22.23 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 64.12 111.197 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' HA2' ' O3G' ' A' ' 201' ' ' GNP . . . 72.98 28.34 66.9 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 73.41 112.754 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.7 40.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.556 -0.831 . . . . 75.1 112.81 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' HB2' ' A' ' 89' ' ' SER . 27.2 m -119.72 -7.06 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.825 0.306 . . . . 73.12 111.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' HA2' ' O2A' ' A' ' 201' ' ' GNP . . . 69.18 40.48 82.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 74.02 112.549 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -31.07 28.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 71.52 110.889 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -69.17 -31.32 69.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 53.11 110.711 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.44 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.146 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.739 HD23 HG13 ' A' ' 152' ' ' VAL . 0.2 OUTLIER -51.38 -41.47 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.118 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.697 HG23 HG21 ' A' ' 55' ' ' ILE . 86.2 m -66.92 -54.06 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 44.31 111.071 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 29' ' ' VAL . 84.2 mt -59.37 -27.45 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.231 -0.44 . . . . 73.42 111.237 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -59.2 -42.79 91.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 72.22 110.77 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.4 tp -73.65 -21.41 60.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 74.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 mm -84.53 -70.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 111.931 0.345 . . . . 61.14 111.931 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -105.7 -17.05 14.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.579 -0.282 . . . . 75.3 111.597 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 68.25 35.5 3.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 71.02 110.882 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CE1' ' CG2' ' A' ' 21' ' ' ILE . 4.1 p-80 -126.23 144.55 50.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.723 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.04 144.41 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 63.42 111.242 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG21 HD13 ' A' ' 21' ' ' ILE . 20.5 t -150.15 135.66 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 64.53 110.709 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -89.37 -56.33 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.801 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 171.05 71.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 55.45 110.768 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.31 142.87 47.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 72.22 110.925 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.02 116.12 6.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.1 110.809 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.15 -25.91 8.17 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.505 2.137 . . . . 55.12 112.263 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -176.06 39.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 55.13 110.769 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -137.19 162.04 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 62.44 111.195 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -100.37 35.86 2.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.775 -0.648 . . . . 73.04 111.081 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.612 ' H ' HD12 ' A' ' 36' ' ' ILE . 8.1 t0 62.77 22.1 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.252 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -113.4 147.97 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 73.51 110.782 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -148.01 164.17 34.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 71.15 110.922 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -147.6 159.49 43.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 64.1 110.892 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -158.16 147.1 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.86 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' HD22 ' A' ' 52' ' ' LEU . 1.6 tt0 -102.21 123.67 46.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.856 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' CG2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 m -134.89 -178.94 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 73.53 111.126 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.9 t -121.11 100.8 9.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.078 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.734 ' CD1' HG21 ' A' ' 160' ' ' VAL . 54.6 mt -116.39 136.85 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 62.21 111.026 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.85 33.09 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 70.54 110.829 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.6 28.46 67.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 54.12 112.45 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -141.89 113.97 8.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 51.22 110.868 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.9 m -62.35 120.42 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 54.43 110.837 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.2 m -143.93 147.34 33.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.791 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.45 146.88 34.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.923 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 60.7 mt -125.41 93.83 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.04 110.834 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.42 98.84 11.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.784 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.697 HG21 HG23 ' A' ' 20' ' ' THR . 16.6 mm -77.04 110.77 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.04 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 71' ' ' TYR . 3.1 tm? -89.45 111.95 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.093 -0.503 . . . . 73.4 111.021 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.78 106.31 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.858 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -76.14 -173.76 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.867 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 156.77 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 60.43 111.052 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.54 -78.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 71.42 112.531 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.94 114.09 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 43.43 110.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -172.11 150.93 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.13 110.783 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.77 111.07 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.34 111.016 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.464 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 0.8 OUTLIER -176.81 37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.897 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 p -59.1 -31.58 69.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.39 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.88 67.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.955 -0.566 . . . . 70.41 110.544 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.475 ' SD ' ' N6 ' ' A' ' 203' ' ' KOB . 3.1 mmt -84.05 -45.99 12.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.739 -0.664 . . . . 43.31 110.385 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 71.12 110.687 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.04 -29.39 70.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 74.13 110.481 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' THR . 6.8 tp60 -74.61 -49.48 21.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 72.13 110.709 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.945 ' CE1' ' HD1' ' A' ' 203' ' ' KOB . 97.6 m-85 -50.94 -35.09 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.905 0.383 . . . . 74.21 110.791 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.42 ' HB2' HG11 ' A' ' 103' ' ' VAL . 5.8 mtt -73.85 -43.38 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 71.33 110.466 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -75.5 -16.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.965 -0.561 . . . . 75.22 111.038 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 70' ' ' GLN . 79.3 p -101.31 -8.74 21.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 64.33 110.882 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.86 166.0 14.67 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.688 -0.767 . . . . 61.14 112.661 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.8 -12.46 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.654 0.264 . . . . 72.35 111.146 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.6 -178.68 26.59 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.774 -0.727 . . . . 72.34 112.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.416 ' CE1' HG23 ' A' ' 100' ' ' ILE . 64.4 m-85 -153.1 142.83 21.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 75.0 111.231 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -119.01 129.73 55.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.733 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.831 ' HB3' HD12 ' A' ' 93' ' ' ILE . 76.6 m -103.57 112.62 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 51.14 110.897 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.18 106.3 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.54 111.032 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -109.7 151.63 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.484 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.77 42.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.325 -0.398 . . . . 71.13 111.162 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 123' ' ' ARG . 1.6 pt -67.81 -13.48 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 65.44 111.215 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -28.6 14.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.414 -0.357 . . . . 44.41 110.54 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -102.81 107.29 18.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 63.4 110.83 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -64.43 -25.62 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.34 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -65.49 -45.26 84.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 63.41 111.094 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' HG12 ' A' ' 14' ' ' VAL . 77.8 p -57.03 -44.73 83.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 53.22 111.02 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 130' ' ' ALA . 19.7 t80 -59.48 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.878 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.85 -30.96 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.35 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.407 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 23.6 m-20 -72.23 -31.34 65.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 65.42 110.83 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 80' ' ' CYS . 24.0 mm -60.51 -28.86 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 72.53 110.687 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -72.27 -55.36 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.806 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.31 -29.02 68.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.069 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 3.6 m-85 -64.23 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.394 . . . . 74.5 110.96 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -33.63 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 75.51 110.717 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.21 -29.77 61.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 72.53 111.015 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -43.56 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.787 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 109' ' ' VAL . 71.0 mt -64.13 -51.7 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.954 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.72 -37.4 63.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 63.51 111.287 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -64.1 -56.24 16.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.396 . . . . 74.22 110.872 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 72' ' ' MET . 42.6 t -62.92 -52.26 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 62.24 110.975 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -65.22 -26.1 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.74 44.13 3.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 61.5 110.81 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -169.2 141.32 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 75.21 110.809 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.27 -28.02 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.031 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.28 84.58 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 74.13 111.217 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.479 ' CG2' ' HE3' ' A' ' 111' ' ' MET . 18.5 m -112.09 151.65 43.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.921 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HB2' HG12 ' A' ' 163' ' ' ILE . 56.3 Cg_endo -71.26 101.1 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.45 2.1 . . . . 64.44 112.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.506 ' HG3' HG21 ' A' ' 139' ' ' ILE . 14.5 ptp -150.58 169.01 22.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 74.51 111.076 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.0 t -142.13 149.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.062 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 114' ' ' VAL . 5.2 tp -111.14 115.33 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.866 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.644 HG21 ' HB1' ' A' ' 155' ' ' ALA . 8.4 t -104.4 160.55 4.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 51.21 111.195 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -127.52 80.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.803 -0.713 . . . . 73.02 112.498 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.17 171.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 71.41 111.002 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.603 ' HE2' HD11 ' A' ' 120' ' ' LEU . 1.3 mtpt 62.48 62.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 72.0 111.013 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.87 -22.52 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.264 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.66 -70.99 0.08 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.859 0.361 . . . . 54.43 111.168 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.681 ' H ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -48.19 172.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 73.04 111.354 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -117.34 47.21 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.47 71.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.2 111.059 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.686 ' HB3' HD12 ' A' ' 84' ' ' ILE . 8.4 ptp85 -99.98 145.94 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.5 110.943 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.6 p -108.08 -48.79 3.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.639 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.56 104.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.515 . . . . 74.12 110.913 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -53.85 161.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 71.32 111.067 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.39 -37.18 86.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.908 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -56.85 -49.01 76.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.898 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -60.02 -44.1 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 63.23 110.923 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . . . -66.07 -36.3 82.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 53.53 111.081 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -30.94 59.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.44 110.774 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -59.55 -34.92 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 52.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.427 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 62.3 tp -81.17 -51.38 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.886 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.27 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.145 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -61.16 -31.78 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.826 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -73.0 -37.97 66.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.612 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 16.8 m-85 -70.86 -24.78 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.971 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.65 16.86 62.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 42.23 112.48 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.506 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.0 pt -111.7 157.23 40.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 73.45 111.335 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.78 155.64 65.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.578 2.185 . . . . 75.43 112.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -127.09 124.43 39.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.34 110.975 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 155' ' ' ALA . 0.1 OUTLIER -127.15 164.36 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 75.24 110.986 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -132.2 138.9 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.716 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 17.6 p -146.12 -178.51 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 71.34 111.201 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 p -146.36 122.15 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 63.41 110.791 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.37 -8.37 56.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.329 -0.396 . . . . 75.34 111.595 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.419 ' HB2' ' C6 ' ' A' ' 201' ' ' GNP . 8.8 tptm -92.16 -48.06 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.83 0.348 . . . . 74.43 110.982 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 p -95.28 -17.42 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 54.35 111.19 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 9.0 ttp180 64.23 60.78 0.94 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.0 0.429 . . . . 72.21 110.779 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -110.86 123.09 49.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.545 . . . . 74.13 110.851 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 59.72 18.25 45.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 74.32 112.834 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.739 HG13 HD23 ' A' ' 19' ' ' LEU . 92.0 t -57.07 -53.58 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 CA-C-O 120.857 0.361 . . . . 73.3 111.14 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 26.7 mt-10 -63.01 -27.35 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.847 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -55.97 -48.02 76.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 65.42 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.897 ' HA ' HD12 ' A' ' 142' ' ' ILE . . . -56.92 -40.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 54.41 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -72.85 -50.16 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 72.14 111.074 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.1 m-85 -56.11 -39.84 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.305 -0.407 . . . . 75.32 110.929 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.493 HG21 HD11 ' A' ' 142' ' ' ILE . 45.3 m -61.08 -35.28 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.581 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.789 HD22 HD12 ' A' ' 79' ' ' LEU . 33.4 tp -66.81 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 73.44 110.602 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.734 HG21 ' CD1' ' A' ' 46' ' ' ILE . 41.3 t -61.41 -52.6 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.004 -0.544 . . . . 34.43 111.039 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -28.36 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -73.12 -55.46 6.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.15 111.011 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 110' ' ' PRO . 75.4 mt -60.25 -38.16 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.365 -0.38 . . . . 53.32 111.354 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -52.59 -45.16 66.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 52.34 111.025 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -59.75 -44.76 93.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.222 -0.894 . . . . 63.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.451 ' O3G' ' O1B' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.4 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.793 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.801 0.334 . . . . 64.42 111.17 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.09 149.77 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 61.4 110.692 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.66 117.89 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.863 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' HG13 ' A' ' 160' ' ' VAL . 8.5 m-85 -110.41 105.46 14.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.91 99.18 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.42 110.65 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 6' ' ' LEU . 3.5 mm? -89.98 101.6 14.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 54.05 111.146 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.6 t -88.11 109.06 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -90.73 139.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 62.23 111.051 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -137.26 148.55 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.041 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.76 174.16 37.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 62.53 112.709 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.649 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -90.04 156.96 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.862 0.363 . . . . 72.32 111.164 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.0 106.1 1.02 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 41.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.58 -20.21 7.39 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.768 -0.73 . . . . 70.02 112.625 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 11' ' ' ALA . 27.8 m -54.14 -25.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 71.42 111.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.69 25.98 28.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 74.11 112.465 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HA ' HG11 ' A' ' 81' ' ' VAL . 9.5 pttt -62.04 -34.98 77.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 71.02 110.89 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -72.59 -32.7 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.844 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -64.19 -55.41 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 70.35 111.125 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.583 HD22 HG13 ' A' ' 152' ' ' VAL . 25.8 mt -57.17 -29.97 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 m -64.92 -58.83 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.048 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.786 HG13 HG22 ' A' ' 29' ' ' VAL . 37.9 mm -53.53 -30.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 72.12 111.282 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.698 ' CB ' HG11 ' A' ' 152' ' ' VAL . 60.9 mm-40 -60.79 -49.35 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 74.1 110.913 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 153' ' ' GLU . 5.7 tt -76.62 -9.0 58.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.462 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.413 HG22 ' HG3' ' A' ' 25' ' ' GLN . 24.4 mm -97.34 -72.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.726 0.298 . . . . 54.52 111.255 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' HG22 ' A' ' 24' ' ' ILE . 1.6 mt-30 -104.07 -10.72 17.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 65.01 111.514 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.39 69.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.882 0.372 . . . . 71.44 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.514 ' CE1' HG21 ' A' ' 21' ' ' ILE . 11.8 p80 -177.06 151.31 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 73.13 110.704 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' HZ ' HO2' ' A' ' 201' ' ' GNP . 2.9 t80 -59.97 141.1 56.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 74.11 110.74 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.786 HG22 HG13 ' A' ' 21' ' ' ILE . 12.9 t -55.25 108.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.019 0.438 . . . . 71.11 111.201 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.18 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.756 -0.656 . . . . 71.13 111.242 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 177.32 89.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.925 -0.58 . . . . 73.31 110.796 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -136.81 168.66 19.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.915 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -86.18 111.27 37.39 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 75.1 110.922 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.63 -12.87 20.28 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.55 2.167 . . . . 65.21 112.568 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -55.82 -61.74 2.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.978 0.418 . . . . 60.5 111.101 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -179.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.837 -0.62 . . . . 74.41 111.178 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.01 173.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 65.43 110.995 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -91.86 47.22 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 61.31 111.055 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -99.56 152.49 19.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 54.44 110.705 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 21' ' ' ILE . 5.5 m-85 -147.69 160.74 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 63.33 110.945 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -141.1 154.73 46.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.72 148.42 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 52.2 110.956 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -103.55 118.72 37.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.783 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 53' ' ' LEU . 33.7 m -130.58 -178.13 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 61.3 111.162 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.96 102.54 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.135 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.858 ' CD1' HG21 ' A' ' 160' ' ' VAL . 34.2 mt -111.93 135.71 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.11 110.926 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.32 17.66 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.259 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.73 -18.99 51.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.632 -0.794 . . . . 61.22 112.988 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -104.32 150.81 24.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 75.14 111.016 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.9 m -78.1 129.57 35.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 71.2 110.747 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 89.1 m -144.08 149.6 36.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.906 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -81.1 154.33 26.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.04 110.633 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD11 HG21 ' A' ' 44' ' ' VAL . 26.1 mt -134.31 86.13 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 73.1 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' OD1' HD12 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -91.6 96.76 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.86 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.0 mm -86.56 109.18 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 72.25 111.177 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.885 ' CD1' ' HE2' ' A' ' 203' ' ' KOB . 0.2 OUTLIER -88.18 133.5 34.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 54.35 110.596 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 104.86 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.25 110.751 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.1 p -74.91 -173.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.935 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -125.06 162.55 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 61.14 111.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.16 22.12 42.53 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.46 -0.876 . . . . 63.31 112.473 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -157.53 -47.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.53 110.454 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.935 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 71.1 mm-40 -110.12 143.58 39.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.011 -0.54 . . . . 70.54 110.54 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 48.99 75.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 71.03 110.896 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -170.93 -178.37 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.029 -0.532 . . . . 74.43 110.751 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 50.52 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.313 -0.403 . . . . 74.43 111.032 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . -58.75 -41.77 87.33 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.943 0.401 . . . . 73.41 110.606 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.595 ' HG2' ' O3B' ' A' ' 203' ' ' KOB . 66.5 mtp -83.99 -27.23 28.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 63.22 110.68 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -52.1 -50.23 62.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.115 -0.493 . . . . 60.02 111.198 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -30.95 12.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.93 0.395 . . . . 54.12 110.953 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' HG2' ' O3A' ' A' ' 203' ' ' KOB . 22.7 tp60 -69.43 -47.48 63.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.019 -0.537 . . . . 73.3 110.577 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 203' ' ' KOB . 10.8 m-30 -59.19 -21.88 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 62.32 110.972 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.814 ' HB2' HG11 ' A' ' 103' ' ' VAL . 3.7 mtt -73.63 -42.03 61.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.329 -0.396 . . . . 75.33 110.622 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 67.2 mtp180 -76.4 -17.04 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 75.42 111.12 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 60.1 p -101.01 -15.44 17.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.301 . . . . 62.41 111.029 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -94.41 162.73 24.76 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.695 -0.764 . . . . 71.45 112.808 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 1.1 mt-10 -102.97 -16.26 15.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.512 0.196 . . . . 63.4 111.219 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.73 -169.94 17.88 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.715 -0.755 . . . . 71.34 112.458 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CE2' HG23 ' A' ' 100' ' ' ILE . 93.8 m-85 -153.89 137.86 16.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 71.12 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.99 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -122.14 123.0 40.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.684 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.84 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.8 m -96.02 119.86 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.989 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 16' ' ' LYS . 49.1 t -112.36 116.93 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 71.32 110.981 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CD1' HD11 ' A' ' 113' ' ' LEU . 8.9 p90 -134.78 146.06 48.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 74.32 110.907 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.73 123.89 34.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.984 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 123' ' ' ARG . 3.1 pt -58.03 -27.46 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.231 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 4.8 p-10 -75.08 -25.41 58.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 72.3 111.009 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -106.59 113.68 27.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 71.15 110.985 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.5 m -72.45 -26.6 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.23 111.098 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -42.91 99.69 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.693 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.591 ' HB3' HG12 ' A' ' 14' ' ' VAL . 6.3 m -60.29 -39.04 85.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 71.42 110.767 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' CE1' HD22 ' A' ' 133' ' ' LEU . 63.0 t80 -59.48 -29.02 67.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 70.42 110.849 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.58 -41.44 72.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.999 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.44 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 8.0 m-20 -60.47 -34.52 74.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.949 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.5 mm -59.89 -25.9 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.45 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -77.54 -55.45 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 65.11 110.831 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -64.42 -30.6 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 73.5 111.086 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 4.5 m-85 -59.88 -39.51 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 75.1 110.78 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -37.64 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 73.44 110.772 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.93 -38.65 83.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 71.11 111.065 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.29 -44.55 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.023 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.726 HD13 ' HE3' ' A' ' 111' ' ' MET . 23.8 mt -63.07 -48.37 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.105 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -35.61 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 62.41 111.115 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -58.86 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 71.23 110.662 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 72' ' ' MET . 45.2 t -57.45 -64.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.178 0.513 . . . . 72.1 110.968 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -58.74 -26.54 64.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 75.32 110.917 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 59.47 53.57 5.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 74.42 110.739 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.85 141.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.543 . . . . 45.02 110.884 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.47 -31.38 62.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.751 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -84.9 95.43 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 52.14 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.52 HG13 ' HD2' ' A' ' 110' ' ' PRO . 50.6 t -133.16 136.55 27.61 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.726 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.52 ' HD2' HG13 ' A' ' 109' ' ' VAL . 59.7 Cg_endo -72.93 100.97 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.871 2.381 . . . . 70.52 112.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.772 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -144.26 162.03 37.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 71.54 110.921 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.629 HG23 HD22 ' A' ' 159' ' ' LEU . 47.3 t -142.96 146.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 74.0 111.208 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.739 HD11 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tp -107.49 113.54 26.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.038 -0.528 . . . . 75.23 110.741 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.72 HG22 ' HB1' ' A' ' 155' ' ' ALA . 16.3 t -100.67 146.57 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.249 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.69 91.22 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.43 112.428 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -67.78 155.79 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 53.34 111.053 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.421 ' HG3' ' C6 ' ' A' ' 201' ' ' GNP . 18.2 mttt 59.8 75.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 75.25 111.048 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.0 t -99.25 -20.78 16.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 62.45 111.134 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.94 -23.72 35.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.446 -0.343 . . . . 73.22 111.271 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -47.67 139.94 6.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 75.13 111.175 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.72 26.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.245 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.64 69.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.319 -0.4 . . . . 73.54 110.866 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -86.2 114.51 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 74.35 110.837 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.4 p -88.46 -49.8 6.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 71.31 110.651 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.8 t -87.59 96.43 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 62.41 110.842 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -54.33 157.25 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 52.54 111.048 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 57.9 m -57.68 -29.39 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 73.53 111.044 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -58.32 -47.9 82.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.278 -0.419 . . . . 64.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -41.1 88.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.29 72.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 72.32 111.115 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.77 -40.82 27.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 62.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.23 -33.41 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.15 110.829 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.561 HD22 ' CE1' ' A' ' 90' ' ' PHE . 22.6 tp -77.34 -51.42 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 54.43 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.54 84.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.52 111.081 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -58.0 -30.26 65.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.888 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -73.3 -36.7 66.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.734 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -74.11 -21.72 59.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.048 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.97 61.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 65.11 112.397 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 111' ' ' MET . 5.4 pt -110.0 156.94 39.14 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.293 . . . . 75.43 111.373 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.5 ' HG2' HG13 ' A' ' 112' ' ' VAL . 56.8 Cg_endo -70.84 159.69 51.79 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.583 2.189 . . . . 71.13 112.418 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -134.19 118.13 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.809 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.958 HD11 HG21 ' A' ' 158' ' ' THR . 5.2 mp -120.71 150.62 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.896 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.06 131.17 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 63.22 110.86 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 151' ' ' GLY . 49.4 p -138.77 159.54 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 70.11 111.153 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 p -131.09 120.96 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 54.24 110.846 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -74.72 -13.66 60.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 64.55 111.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -92.55 -50.65 5.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 64.24 111.294 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 7.2 p -88.25 -21.17 24.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 54.44 111.363 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.73 69.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.987 0.422 . . . . 73.53 110.55 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -125.33 116.09 21.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 75.44 110.876 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 144' ' ' THR . . . 66.59 14.24 62.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 54.03 112.836 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.698 HG11 ' CB ' ' A' ' 22' ' ' GLN . 36.2 t -52.37 -55.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 73.45 111.202 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.831 ' HA ' HD12 ' A' ' 23' ' ' LEU . 60.5 mt-10 -66.93 -26.8 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 54.52 110.914 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.05 -51.63 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.97 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.72 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -57.07 -43.56 82.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.095 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.495 ' CB ' HD13 ' A' ' 23' ' ' LEU . 35.5 m-85 -65.11 -49.83 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.871 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 16.8 m-85 -55.1 -31.01 60.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.827 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.958 HG21 HD11 ' A' ' 142' ' ' ILE . 4.9 m -57.17 -40.45 77.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 55.01 110.854 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.99 HD23 HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -57.01 -48.05 79.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 60.55 110.696 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.858 HG21 ' CD1' ' A' ' 46' ' ' ILE . 33.4 t -52.71 -38.76 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.114 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.2 -33.18 67.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 54.22 110.858 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -68.21 -44.4 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.81 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.462 HG13 HD13 ' A' ' 159' ' ' LEU . 37.8 mt -61.31 -45.65 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.017 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -60.26 -34.75 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 72.41 110.8 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -97.46 25.89 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.35 111.124 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.235 -0.888 . . . . 63.44 110.978 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.64 HO2' ' HZ ' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.39 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.634 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.886 0.374 . . . . 53.24 111.299 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.33 140.44 31.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.967 -0.56 . . . . 52.32 110.841 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.18 141.53 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 65.33 110.637 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -135.34 148.1 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.12 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 2.6 mmtm -115.4 117.0 29.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 63.22 110.801 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.77 ' HB2' HD13 ' A' ' 55' ' ' ILE . 2.0 mm? -112.87 95.13 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 45.52 110.874 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HB ' ' CD1' ' A' ' 78' ' ' PHE . 92.3 t -84.55 102.22 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 65.03 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.98 138.55 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 74.31 111.044 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -137.36 150.21 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 72.34 111.011 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 158.94 176.31 30.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 75.21 112.469 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.824 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -82.79 161.82 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 51.05 111.092 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.19 -19.54 61.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 74.33 112.785 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.61 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 73.1 112.752 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 11' ' ' ALA . 24.0 m -115.48 -34.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 73.31 111.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.49 23.82 8.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 70.0 112.483 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -43.53 98.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 73.54 110.949 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 p -66.82 -32.82 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 53.14 110.823 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -65.42 -48.75 71.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.875 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 152' ' ' VAL . 91.2 mt -65.53 -28.6 69.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.856 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.675 HG23 HG21 ' A' ' 55' ' ' ILE . 91.9 m -58.75 -55.76 30.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 70.41 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -30.14 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.269 -0.423 . . . . 62.33 110.772 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -62.76 -43.41 98.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 70.24 110.753 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -76.59 -7.23 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 63.23 111.317 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 42' ' ' LYS . 27.4 mm -105.84 -70.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 72.43 111.204 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.09 -19.67 19.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.406 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 65.41 75.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 72.24 111.072 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.71 163.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 74.44 110.685 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -68.74 134.92 50.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 70.34 110.784 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.727 HG13 ' CE1' ' A' ' 32' ' ' TYR . 2.4 t -57.56 126.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 74.02 110.8 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 20.2 t70 175.71 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.761 -0.654 . . . . 63.53 110.626 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -109.83 -18.48 13.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.281 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.727 ' CE1' HG13 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -53.25 144.05 17.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 74.12 110.914 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.15 116.37 8.28 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 70.44 111.133 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.51 -18.58 15.48 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.522 2.148 . . . . 75.21 112.423 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -74.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 65.44 111.04 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.38 158.25 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.986 -0.552 . . . . 75.41 111.305 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 177.88 -30.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 62.13 110.99 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB2' ' S7 ' ' A' ' 203' ' ' KOB . 10.1 p-10 -46.74 -28.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 71.2 111.376 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 p -158.78 152.68 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 75.43 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -131.77 168.42 17.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.765 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -146.2 143.63 29.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.04 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HB2' HD13 ' A' ' 24' ' ' ILE . 9.8 tptt -151.91 147.59 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 60.13 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -111.8 117.79 33.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.821 -0.627 . . . . 72.23 110.519 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 53' ' ' LEU . 26.0 m -138.94 -178.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 63.11 111.372 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.7 p -126.41 103.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.989 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -88.4 111.55 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 72.44 111.115 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 59.28 40.86 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.5 22.5 77.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 61.52 112.633 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -130.35 107.12 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 75.51 110.806 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -60.0 122.78 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 52.5 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 64.7 m -145.95 145.15 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 51.11 110.704 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.3 OUTLIER -78.42 143.43 36.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.812 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 44' ' ' VAL . 42.0 mt -122.41 108.87 13.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.515 . . . . 75.44 110.665 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 93.37 6.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.027 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' HB2' ' A' ' 6' ' ' LEU . 47.9 mm -78.08 113.04 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.734 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.034 HD21 ' CD1' ' A' ' 71' ' ' TYR . 2.5 tp -88.41 119.03 28.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.866 -0.607 . . . . 70.0 111.006 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.63 ' N ' HD12 ' A' ' 56' ' ' LEU . 3.4 t0 -110.13 108.2 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 75.35 110.773 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -98.38 -173.76 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.15 110.809 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 112.51 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 64.21 111.098 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.29 -23.12 76.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 63.33 112.624 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.91 -76.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 72.11 110.976 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -176.33 -164.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 71.22 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 72.39 -179.21 0.21 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 75.14 111.091 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER 60.29 27.14 16.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 74.45 110.932 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 p -60.78 -30.7 70.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.997 0.427 . . . . 63.42 110.422 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.43 -56.7 16.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.839 -0.619 . . . . 43.43 110.779 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.705 ' HB3' ' HAB' ' A' ' 203' ' ' KOB . 4.9 mtp -83.44 -21.6 32.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 63.32 110.996 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -49.27 -31.08 8.23 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.051 0.453 . . . . 72.14 110.322 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -33.63 67.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.811 -0.631 . . . . 73.2 110.184 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 67' ' ' MET . 4.0 tp60 -57.45 -48.48 79.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.778 -0.646 . . . . 72.33 110.243 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 1.034 ' CD1' HD21 ' A' ' 56' ' ' LEU . 23.5 m-85 -51.67 -33.75 35.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.792 -0.64 . . . . 75.24 111.486 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.712 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.3 mtt -73.63 -39.19 64.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.055 0.455 . . . . 71.41 110.151 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.0 mtm180 -81.12 -15.39 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 74.24 111.402 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 70' ' ' GLN . 80.5 p -100.24 -15.36 18.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.635 0.255 . . . . 53.14 111.029 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 7' ' ' VAL . . . -100.0 159.23 19.54 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.586 -0.816 . . . . 61.03 113.441 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -105.97 -13.42 15.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 73.11 110.828 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.458 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.96 170.02 31.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.887 -0.673 . . . . 70.41 112.089 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CE2' HG23 ' A' ' 100' ' ' ILE . 69.5 m-85 -138.39 140.6 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 73.3 111.283 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.4 121.16 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.22 110.756 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.861 ' HB3' HD12 ' A' ' 93' ' ' ILE . 18.6 m -97.99 115.98 29.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.31 122.05 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 65.12 111.056 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD11 ' A' ' 113' ' ' LEU . 17.1 p90 -136.04 141.92 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.823 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.25 123.78 32.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 73.35 111.044 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.909 HD12 ' HB3' ' A' ' 123' ' ' ARG . 6.5 pt -56.34 -31.58 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 64.12 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.9 -24.47 65.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 62.23 111.012 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -113.22 103.49 11.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.343 -0.389 . . . . 72.1 110.886 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.691 HG23 HG22 ' A' ' 125' ' ' VAL . 2.9 m -64.5 -23.59 67.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.027 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -44.37 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 62.31 110.743 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 13.3 m -56.96 -36.75 70.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 51.02 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.93 -29.06 69.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.51 110.877 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -73.0 -31.55 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.2 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.3 m-20 -72.23 -31.48 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.861 HD12 ' HB3' ' A' ' 80' ' ' CYS . 25.1 mm -61.34 -28.35 43.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.23 110.969 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -73.18 -55.44 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.14 -28.69 68.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.079 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.5 m-85 -58.35 -42.23 86.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 72.1 110.966 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.425 HH12 HG22 ' A' ' 93' ' ' ILE . 2.1 ttm105 -65.22 -34.05 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 54.51 110.741 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.2 -45.26 91.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.68 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -40.2 95.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 71.43 110.583 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.692 HG23 ' CE2' ' A' ' 78' ' ' PHE . 83.5 mt -62.08 -53.18 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.565 . . . . 51.32 111.06 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.79 -35.6 61.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.228 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -61.4 -59.0 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 70.21 111.024 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.712 HG11 ' HB2' ' A' ' 72' ' ' MET . 27.5 t -62.69 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' CB ' HG11 ' A' ' 109' ' ' VAL . 5.0 mmmt -59.18 -28.06 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 73.31 111.019 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 t0 62.44 50.97 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.706 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.43 140.67 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.53 . . . . 74.31 110.811 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -75.19 -36.66 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 65.13 111.0 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -90.55 89.38 7.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.11 111.126 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.687 HG23 ' SD ' ' A' ' 111' ' ' MET . 0.0 OUTLIER -121.65 152.79 59.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 53.01 110.947 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HB2' HG12 ' A' ' 163' ' ' ILE . 59.9 Cg_endo -71.93 108.48 2.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.646 2.23 . . . . 64.32 112.524 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.791 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -158.92 165.96 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.724 179.704 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 140' ' ' PRO . 21.6 t -144.2 151.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 72.43 111.348 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.747 HD11 ' CD1' ' A' ' 82' ' ' PHE . 8.5 tp -111.86 114.01 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.506 . . . . 71.14 110.926 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.726 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 15.8 t -102.17 144.46 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.136 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 84.84 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 74.31 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.653 HD21 ' HB2' ' A' ' 146' ' ' ALA . 4.2 t-20 -64.38 169.44 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 75.31 110.922 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' HB3' HD23 ' A' ' 120' ' ' LEU . 11.0 mttt 61.08 51.71 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 t -87.19 -13.51 43.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 64.33 111.286 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -91.05 -18.05 25.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.507 -0.315 . . . . 73.22 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD23 ' HB3' ' A' ' 117' ' ' LYS . 4.1 mm? -48.46 158.78 0.26 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 72.52 111.24 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.24 41.3 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.149 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -168.71 56.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 55.32 111.037 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.909 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.2 ptm180 -68.78 126.25 29.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.041 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.6 p -94.04 -26.18 16.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.583 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.691 HG22 HG23 ' A' ' 87' ' ' THR . 57.4 t -119.06 98.67 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.119 -0.491 . . . . 51.25 110.907 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.68 161.09 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 74.51 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.2 p -56.57 -29.93 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 64.31 110.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -59.82 -46.33 89.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.797 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.37 -36.85 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.84 56.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 62.44 111.162 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -33.27 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 75.3 110.943 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.4 -36.18 83.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.973 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.442 HD11 ' OH ' ' A' ' 137' ' ' TYR . 27.9 tp -78.25 -51.53 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.0 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 72.13 111.113 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -64.73 -23.52 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.21 111.086 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.4 t -77.97 -41.39 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 53.43 110.715 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 139' ' ' ILE . 23.9 m-85 -74.75 -19.93 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 74.31 111.012 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.96 17.63 62.8 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.416 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.791 HG21 ' HG2' ' A' ' 111' ' ' MET . 7.5 pt -107.71 156.83 37.3 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 62.2 111.485 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.613 ' HG2' HG13 ' A' ' 112' ' ' VAL . 60.2 Cg_endo -73.02 154.28 52.65 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.579 2.186 . . . . 73.35 112.305 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -126.36 118.4 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 71.44 110.886 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 158' ' ' THR . 3.0 mp -117.88 157.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.028 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 142' ' ' ILE . 1.4 mt-10 -121.56 131.39 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.859 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 151' ' ' GLY . 18.2 p -141.65 179.4 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 73.41 110.989 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.9 p -147.14 117.94 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.838 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -67.55 -22.65 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 62.44 111.39 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -83.41 -61.86 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 75.21 111.142 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 2.1 p -76.16 -19.66 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.4 111.364 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.85 63.94 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 74.21 110.657 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -114.23 120.38 40.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 144' ' ' THR . . . 55.85 28.06 51.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.803 -0.713 . . . . 73.04 112.677 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.715 HG13 HD22 ' A' ' 19' ' ' LEU . 26.3 t -57.46 -55.87 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.33 111.06 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 6.5 mt-10 -66.82 -28.29 68.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.829 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -34.01 63.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.922 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.726 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -75.65 -40.08 56.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.913 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.466 ' CD2' HD23 ' A' ' 23' ' ' LEU . 25.8 m-85 -68.76 -50.47 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.82 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.455 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.6 m-85 -54.68 -33.45 60.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 65.35 111.064 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.9 HG21 HD11 ' A' ' 142' ' ' ILE . 84.8 m -58.44 -34.62 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 62.43 110.905 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.691 HD23 HD12 ' A' ' 6' ' ' LEU . 23.8 tp -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.52 110.789 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.73 -48.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.952 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -66.4 -28.99 69.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.801 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.56 -54.85 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.783 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.458 HD11 ' HA3' ' A' ' 77' ' ' GLY . 69.8 mt -59.15 -52.03 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.303 -0.408 . . . . 64.51 111.048 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -48.1 -33.85 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.989 -0.55 . . . . 73.15 110.981 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -31.98 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.839 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.215 -0.898 . . . . 72.44 110.873 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.518 ' O1G' ' O ' ' A' ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.337 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.518 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.116 0.484 . . . . 75.41 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -101.06 148.48 25.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.643 -0.708 . . . . 74.35 110.542 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HG3' HD13 ' A' ' 52' ' ' LEU . 1.4 mt-10 -109.49 118.33 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.926 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.409 ' CZ ' HG21 ' A' ' 2' ' ' THR . 35.2 m-85 -108.03 123.92 49.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 63.43 110.929 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -101.25 119.47 38.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.781 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 159' ' ' LEU . 10.8 mt -113.7 119.0 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.095 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.455 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 40.7 t -87.37 102.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.55 111.04 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG21 HG22 ' A' ' 55' ' ' ILE . 21.8 t -79.37 124.78 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.51 111.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 81' ' ' VAL . 27.5 m -135.51 149.52 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 71.13 111.048 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 63.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 72.02 112.631 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.75 -169.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 74.53 111.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.96 43.14 1.61 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 54.22 112.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' HA2' ' O1B' ' A' ' 201' ' ' GNP . . . -177.5 36.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 45.42 112.441 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HB3' ' A' ' 89' ' ' SER . 14.5 m -110.82 -26.63 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 72.31 111.354 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.37 18.56 6.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 61.22 112.685 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -36.61 80.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 74.55 110.722 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -43.17 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 71.44 110.709 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.75 80.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.12 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HG13 ' A' ' 152' ' ' VAL . 42.8 mt -66.03 -31.75 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.784 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 m -67.57 -52.12 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.842 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 mp -65.33 -29.0 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.283 -0.417 . . . . 72.45 110.792 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -67.33 -42.6 83.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 60.31 110.604 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 156' ' ' PHE . 54.9 tp -76.62 -7.62 55.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 75.22 111.228 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.41 HD13 ' HD2' ' A' ' 42' ' ' LYS . 22.3 mm -111.94 -69.25 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 74.01 111.298 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -87.02 -26.39 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.04 111.385 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 70.1 68.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 73.14 110.95 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.63 153.52 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 62.1 110.717 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CZ ' " O2'" ' A' ' 201' ' ' GNP . 1.8 t80 -62.79 129.45 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 63.24 110.666 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 32' ' ' TYR . 2.6 t -50.89 136.6 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.97 0.414 . . . . 70.12 111.072 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -179.98 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 64.31 110.795 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.45 28.16 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 71.11 111.053 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 29' ' ' VAL . 44.9 p90 -58.39 142.86 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.399 -0.364 . . . . 61.31 110.84 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -50.95 106.39 0.64 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 74.33 111.103 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.98 -25.75 31.93 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.376 2.051 . . . . 72.13 112.268 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.0 m -58.51 -27.97 64.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.958 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.93 158.95 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 71.13 111.227 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.48 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 64.35 110.893 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -50.75 -27.73 7.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.923 -0.58 . . . . 75.5 111.211 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -161.43 165.36 28.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 73.33 110.979 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -140.35 114.38 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.746 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -97.52 135.96 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.965 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' HD13 ' A' ' 24' ' ' ILE . 21.1 tttm -148.91 151.03 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.35 110.786 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -109.33 120.64 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.727 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 HD11 ' A' ' 53' ' ' LEU . 27.4 m -133.85 176.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.23 111.267 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.99 102.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.004 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.61 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.4 mt -127.28 138.2 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.026 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.54 29.33 15.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 54.11 110.935 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.94 27.0 67.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.687 -0.768 . . . . 64.11 112.4 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -145.47 105.99 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 71.14 110.851 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -55.64 129.64 39.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.8 m -146.74 156.27 43.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 61.03 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.448 HD13 ' HG3' ' A' ' 3' ' ' GLU . 1.8 mt -84.71 145.15 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 65.24 110.716 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.655 HD11 HG21 ' A' ' 44' ' ' VAL . 53.5 mt -115.22 93.34 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.061 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -86.19 99.44 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.808 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.544 ' CD1' HD12 ' A' ' 6' ' ' LEU . 12.7 mm -91.25 110.86 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 63.4 111.078 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB3' ' HA ' ' A' ' 7' ' ' VAL . 8.6 tp -79.8 120.84 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.997 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' N ' HD12 ' A' ' 56' ' ' LEU . 2.0 t70 -118.58 96.4 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 71' ' ' TYR . 10.5 p -80.48 -175.95 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.02 111.046 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.17 130.05 48.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.067 -0.515 . . . . 45.44 111.056 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.07 -24.55 71.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.596 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -97.68 -169.58 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 72.25 110.876 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.98 -177.07 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.323 -0.399 . . . . 71.21 110.988 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -124.61 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.119 0.485 . . . . 74.3 111.079 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 67' ' ' MET . 0.4 OUTLIER -94.79 40.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 74.44 110.849 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -37.69 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.785 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.01 -24.67 25.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.01 111.101 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.429 ' HG2' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -83.92 -23.09 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.09 -179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -57.27 -48.29 79.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.992 0.425 . . . . 72.03 109.944 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -30.4 64.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 73.23 110.113 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 74' ' ' THR . 0.2 OUTLIER -79.54 -41.27 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 70.43 110.424 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 20.4 m-30 -58.47 -42.3 87.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 65.04 110.573 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.465 ' HA ' ' CE2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -70.7 -37.03 73.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 54.24 110.021 179.215 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' HG3' ' CG1' ' A' ' 103' ' ' VAL . 67.6 mtp180 -77.38 -14.51 59.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 65.24 110.969 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 70' ' ' GLN . 50.8 p -98.83 -21.92 16.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.318 -0.401 . . . . 52.51 110.442 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -98.49 159.15 20.44 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.757 -0.735 . . . . 61.33 113.065 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 3.2 mm-40 -102.16 -16.28 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 34.31 110.877 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.39 167.05 30.21 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.021 -0.609 . . . . 32.32 112.15 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 104' ' ' LYS . 3.1 m-85 -136.58 148.13 47.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 72.02 111.147 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.53 115.93 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.41 110.873 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 93' ' ' ILE . 35.0 m -90.69 104.02 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.953 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 9' ' ' VAL . 7.5 p -115.52 134.86 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.54 110.982 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.64 ' CE1' HD11 ' A' ' 113' ' ' LEU . 4.5 p90 -147.64 153.8 39.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 60.33 110.791 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -90.67 125.21 35.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 63.52 111.132 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 123' ' ' ARG . 4.5 pt -61.9 -27.6 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.236 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.463 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 2.9 p-10 -71.17 -23.62 62.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 74.42 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -113.22 119.62 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 75.43 110.86 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.9 m -69.02 -33.59 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.91 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -56.54 -44.4 80.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 74.33 110.913 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.528 ' HB3' HG12 ' A' ' 14' ' ' VAL . 82.1 p -59.49 -37.63 78.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 72.51 110.905 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 23.6 t80 -68.17 -36.85 80.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -27.12 65.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 53.45 111.109 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.2 OUTLIER -69.41 -37.29 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 65.41 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.785 HG23 ' HB3' ' A' ' 80' ' ' CYS . 24.9 mm -59.85 -27.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 74.22 111.035 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.24 -55.5 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 62.2 110.776 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -66.12 -28.05 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 71.24 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.2 m-85 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 75.12 110.984 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -33.93 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 71.43 110.922 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.77 -34.19 76.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.83 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -44.55 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.814 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -68.5 -43.79 83.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.975 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -35.42 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 52.21 110.91 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -69.87 -58.93 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.2 111.182 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 42.8 t -56.24 -52.21 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 71.23 111.104 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.757 ' HG3' HG11 ' A' ' 109' ' ' VAL . 13.4 mmtm -66.38 -26.61 67.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.95 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t0 68.54 38.76 2.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 74.43 110.78 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -176.02 164.02 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.842 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -104.54 18.22 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 34.55 111.261 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -126.62 82.0 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 54.12 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 104' ' ' LYS . 33.2 m -130.24 154.34 81.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.252 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.454 ' HB2' HG12 ' A' ' 163' ' ' ILE . 55.6 Cg_endo -70.33 106.59 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.601 2.201 . . . . 63.55 112.284 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.715 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.5 ptp -149.93 171.59 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 75.45 110.94 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.531 HG13 ' HG2' ' A' ' 140' ' ' PRO . 8.9 t -144.07 160.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.03 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.81 HD23 ' HB2' ' A' ' 134' ' ' ALA . 2.8 tp -125.48 106.48 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 65.42 110.805 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.65 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 19.9 t -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 61.12 111.357 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.64 87.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 65.13 112.275 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.98 169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.38 . . . . 74.53 111.06 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp 61.03 59.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.962 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.8 t -102.24 4.86 39.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 53.22 111.352 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.93 -28.41 8.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.729 0.299 . . . . 74.11 111.018 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.55 HD21 ' N2 ' ' A' ' 201' ' ' GNP . 14.9 mt -53.52 153.68 4.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.301 -0.409 . . . . 70.11 111.094 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.84 31.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 54.11 111.138 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -142.86 79.39 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.068 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.618 ' HB2' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -97.74 112.26 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 64.45 110.714 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.7 p -86.17 -49.85 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.674 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.2 t -88.47 101.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.828 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 161.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 75.14 111.078 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 25.5 m -62.02 -40.84 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 63.53 111.045 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -55.93 -46.35 78.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.995 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -61.02 -41.63 96.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.14 111.009 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 90' ' ' PHE . . . -71.04 -33.48 70.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 52.43 111.154 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -33.13 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.12 110.884 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.78 -45.98 85.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.74 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.4 tm? -69.82 -51.86 30.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 64.43 111.013 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.81 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -54.91 -47.87 73.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.907 -0.588 . . . . 63.23 111.207 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -59.95 -29.16 68.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.02 111.039 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.0 t -77.95 -21.56 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 54.21 110.944 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.74 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 6.1 m-30 -88.65 -22.3 23.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.212 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.55 16.66 65.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 64.5 112.555 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.715 HG21 ' HG3' ' A' ' 111' ' ' MET . 6.5 pt -112.09 157.17 40.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.74 0.305 . . . . 64.53 111.361 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.531 ' HG2' HG13 ' A' ' 112' ' ' VAL . 57.7 Cg_endo -71.75 149.11 53.84 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 72.3 112.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -119.43 116.96 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 75.14 110.489 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.757 HD11 HG21 ' A' ' 158' ' ' THR . 2.4 mp -117.66 152.62 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.14 111.099 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -116.71 129.68 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.53 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 151' ' ' GLY . 45.2 p -138.97 169.5 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.2 111.081 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.08 121.3 14.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.44 110.833 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.37 -6.43 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 54.22 111.668 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -96.51 -47.23 6.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 71.13 110.957 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 22.5 p -95.3 -14.87 23.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.418 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.38 61.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 73.12 110.65 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.35 118.62 32.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 61.43 110.997 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 144' ' ' THR . . . 65.22 13.96 58.69 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.805 -0.712 . . . . 73.13 112.958 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.699 HG13 ' CD2' ' A' ' 19' ' ' LEU . 46.4 t -53.25 -60.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.823 0.344 . . . . 63.03 111.344 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -62.03 -34.39 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 65.41 110.833 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.38 -34.74 49.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.948 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.65 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -74.76 -44.6 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 75.03 111.012 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.635 ' CG ' HD22 ' A' ' 23' ' ' LEU . 53.6 m-85 -63.56 -51.02 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 64.4 111.008 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.64 -30.14 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.23 111.199 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.757 HG21 HD11 ' A' ' 142' ' ' ILE . 59.9 m -58.79 -32.77 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 55.4 111.048 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.618 ' CD2' HD22 ' A' ' 6' ' ' LEU . 27.9 tp -73.11 -40.94 64.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.976 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.61 HG21 ' CD1' ' A' ' 46' ' ' ILE . 43.3 t -54.22 -44.9 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 41.24 111.279 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -39.74 79.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 64.02 110.977 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -62.73 -54.84 33.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 72.42 110.973 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 110' ' ' PRO . 46.5 mt -56.35 -42.87 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.322 -0.399 . . . . 75.01 111.159 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -56.73 -47.08 80.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.981 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -64.61 -44.34 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.3 110.841 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.226 -0.892 . . . . 71.45 110.842 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.55 ' N2 ' HD21 ' A' ' 120' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.355 ' S7 ' ' HD1' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.763 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.799 0.333 . . . . 74.43 111.19 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.45 149.8 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.693 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.12 109.32 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 55.21 110.781 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -97.06 113.45 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.95 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -83.05 99.92 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 53.51 110.819 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.031 HD13 HD23 ' A' ' 159' ' ' LEU . 4.2 mm? -89.48 95.15 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 60.14 110.71 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HD12 ' A' ' 56' ' ' LEU . 11.7 t -84.23 102.18 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 64.1 111.09 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.09 112.54 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 63.43 111.298 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.66 -175.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 71.22 111.056 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' HA2' ' CE2' ' A' ' 96' ' ' TYR . . . 126.9 163.01 11.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 60.42 112.487 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.673 ' HB3' HG13 ' A' ' 14' ' ' VAL . . . -62.22 166.16 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 63.41 111.105 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' O ' ' O2G' ' A' ' 201' ' ' GNP . . . -66.51 -10.94 55.52 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.848 -0.691 . . . . 71.0 112.916 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.99 57.08 0.72 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.554 -0.831 . . . . 54.32 112.642 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 89' ' ' SER . 33.3 m -120.3 -5.49 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.786 0.291 . . . . 75.21 111.786 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.23 21.85 69.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.654 -0.784 . . . . 41.13 112.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -39.15 75.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 71.41 111.005 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -25.88 62.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.205 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -59.06 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 41.45 111.357 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' CZ ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -56.68 -28.98 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 71.43 111.263 -179.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.438 HG23 HG21 ' A' ' 55' ' ' ILE . 30.6 m -54.42 -46.84 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 24.3 111.187 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD11 ' OH ' ' A' ' 40' ' ' TYR . 1.7 mp -75.14 -32.78 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.346 -0.388 . . . . 74.33 110.747 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -59.19 -49.14 79.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.53 110.638 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -60.25 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.35 110.614 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.6 -60.46 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.015 -0.539 . . . . 61.11 110.999 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -104.47 -126.3 0.22 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.198 -0.455 . . . . 71.15 110.27 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 p30 174.92 44.36 0.0 OUTLIER 'General case' 0 C--O 1.23 0.073 0 O-C-N 121.97 -0.456 . . . . 71.12 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -136.41 10.13 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 62.04 111.589 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 63.35 139.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.686 0.279 . . . . 73.31 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 32' ' ' TYR . 26.0 t -51.47 144.8 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.103 0.477 . . . . 43.31 111.222 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 25.2 t70 174.91 -36.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 51.5 110.516 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.24 71.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.504 . . . . 74.42 110.935 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CD1' HG13 ' A' ' 29' ' ' VAL . 28.0 p90 -141.08 157.13 45.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 62.44 110.79 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.37 132.94 24.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 73.25 111.009 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -15.2 35.03 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.441 2.094 . . . . 74.05 112.36 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 p -76.22 -5.52 47.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 75.25 111.487 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 ' C ' ' A' ' 37' ' ' GLU . 1.4 pp -130.15 173.56 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.94 0.4 . . . . 62.35 111.225 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' C ' HD12 ' A' ' 36' ' ' ILE . 1.1 tm-20 -92.33 112.73 24.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 71.44 110.992 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -75.19 66.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 60.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.5 p -113.23 140.69 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 74.05 110.862 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -144.5 166.12 26.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 63.12 110.737 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -147.54 129.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.915 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -124.89 147.27 48.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 65.31 110.879 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' HG3' HD22 ' A' ' 52' ' ' LEU . 10.8 tt0 -95.35 120.72 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.813 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 53' ' ' LEU . 34.4 m -129.76 176.86 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.19 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.78 102.28 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.994 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.636 HG21 HG11 ' A' ' 160' ' ' VAL . 44.1 mt -116.24 139.63 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.045 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.62 16.66 10.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 63.0 111.241 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -18.37 51.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.694 -0.765 . . . . 72.32 112.956 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -107.21 147.99 29.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 60.45 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.2 m -72.98 129.21 37.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 73.04 110.752 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.9 m -144.69 146.91 32.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.931 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.763 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -82.5 155.62 24.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 75.51 110.807 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 44' ' ' VAL . 33.7 mt -126.56 81.55 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.029 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.26 99.89 5.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.04 110.681 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 6' ' ' LEU . 17.0 mm -87.34 109.19 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.447 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -92.58 100.78 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 53.35 110.657 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.51 104.41 16.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.92 -0.582 . . . . 73.24 110.98 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.421 HG22 HD11 ' A' ' 56' ' ' LEU . 27.4 p -75.41 -174.15 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.617 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.25 157.76 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.336 -0.393 . . . . 74.44 111.229 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.13 -25.08 7.26 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.687 -0.768 . . . . 71.43 112.178 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -99.62 179.23 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 63.25 110.705 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 58.3 -174.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 64.55 110.822 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -97.0 -79.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.775 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 52.73 36.17 20.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 73.25 111.071 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -26.07 63.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.96 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.97 -55.83 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.134 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.623 ' HB3' ' O3A' ' A' ' 203' ' ' KOB . 6.1 ptp -65.33 -32.73 74.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 71.23 110.968 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -51.05 -51.12 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.63 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.06 -32.43 74.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.272 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.92 ' O ' HG23 ' A' ' 74' ' ' THR . 1.9 tp60 -67.83 -48.92 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 75.22 110.487 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 67' ' ' MET . 22.0 m-85 -51.53 -37.13 47.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 70.42 111.319 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.782 ' HB2' HG11 ' A' ' 103' ' ' VAL . 2.4 mtt -67.44 -46.48 72.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.41 -0.589 . . . . 72.42 109.41 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 53.7 mtp180 -72.12 -10.14 59.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.511 -0.768 . . . . 71.33 111.195 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.92 HG23 ' O ' ' A' ' 70' ' ' GLN . 45.3 p -99.02 -23.28 15.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 73.31 110.832 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 5' ' ' LYS . . . -104.77 166.35 14.84 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.573 -0.822 . . . . 54.41 113.664 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 0.7 OUTLIER -112.11 -13.12 13.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.352 . . . . 74.3 110.876 179.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.3 151.11 22.84 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.796 -0.716 . . . . 54.44 112.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.86 155.7 37.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 73.33 111.17 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 116.89 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 71.44 110.8 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.845 ' HB3' HD12 ' A' ' 93' ' ' ILE . 63.8 m -90.66 110.92 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 71.24 110.969 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 116' ' ' ASN . 74.5 t -107.58 111.46 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 64.42 111.039 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -117.12 144.81 44.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.637 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.65 33.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 74.23 110.968 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.851 HD12 ' HB3' ' A' ' 123' ' ' ARG . 2.1 pt -61.25 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.22 111.002 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.83 -28.51 30.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.881 -0.6 . . . . 72.22 110.732 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -99.02 106.48 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 74.54 110.795 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 125' ' ' VAL . 1.8 m -67.38 -27.4 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.075 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -62.1 -45.43 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 75.12 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.697 ' CB ' HG12 ' A' ' 14' ' ' VAL . 93.8 p -53.84 -43.96 69.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.332 -0.394 . . . . 64.22 110.887 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.426 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 20.8 t80 -59.84 -27.82 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.712 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.96 -29.83 55.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 63.04 111.073 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.23 -33.06 59.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 75.11 111.084 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.845 HD12 ' HB3' ' A' ' 80' ' ' CYS . 20.4 mm -60.94 -31.66 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -69.63 -55.35 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 64.24 110.722 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.67 -28.35 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 65.14 111.088 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CE2' ' HA2' ' A' ' 10' ' ' GLY . 2.2 m-85 -58.54 -48.78 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.99 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -55.44 -30.71 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.126 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -60.71 -41.05 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 54.31 110.839 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -24.31 62.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.039 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.674 HG21 ' HE2' ' A' ' 111' ' ' MET . 6.6 mm -74.99 -44.31 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 55.53 111.135 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -59.85 -32.79 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 72.25 111.179 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -59.11 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.422 -0.354 . . . . 72.24 110.964 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' A' ' 72' ' ' MET . 46.7 t -62.05 -52.94 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 74.22 110.823 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -26.67 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 73.51 110.805 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 44.3 t0 62.42 50.15 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 72.14 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.83 176.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.918 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -103.71 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -79.3 81.14 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 75.23 111.007 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.51 144.05 32.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.979 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 53.4 Cg_endo -68.76 100.93 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 70.22 112.503 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.674 ' HE2' HG21 ' A' ' 100' ' ' ILE . 3.2 ttm -134.42 173.31 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.935 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 159' ' ' LEU . 16.3 t -146.92 153.81 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 62.21 111.128 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 134' ' ' ALA . 3.8 tp -128.84 112.2 13.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.15 110.817 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 17.2 t -109.18 154.75 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 75.3 111.336 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 114' ' ' VAL . . . -108.43 78.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 75.51 112.319 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.423 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 4.2 t-20 -55.76 156.75 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 71.42 110.982 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 120' ' ' LEU . 11.8 mttp 63.04 57.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 72.22 110.943 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 t -91.8 -22.32 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 62.31 111.068 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -77.91 -25.23 48.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.359 . . . . 74.41 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 117' ' ' LYS . 21.0 mt -51.21 166.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 73.35 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -121.44 27.19 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 72.3 111.338 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.56 73.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 55.04 111.184 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.851 ' HB3' HD12 ' A' ' 84' ' ' ILE . 2.5 ptm180 -90.41 139.66 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 72.33 110.893 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -110.28 -24.67 10.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 44.45 110.686 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 87' ' ' THR . 21.6 t -111.84 104.28 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.104 -0.498 . . . . 70.52 111.088 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.04 161.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 55.32 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.3 p -63.05 -35.65 80.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.145 -0.479 . . . . 72.14 111.053 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.48 -48.59 80.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.917 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -58.65 -40.91 84.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.06 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.34 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.01 111.1 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.77 -29.22 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.019 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.13 -36.0 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 74.22 110.955 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.437 HD11 ' CZ ' ' A' ' 137' ' ' TYR . 15.5 tp -81.15 -50.91 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.823 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -58.27 -44.29 88.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.2 111.197 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -56.72 -41.57 77.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.1 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.3 t -75.35 -33.77 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.753 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 3.4 m-30 -69.3 -24.79 63.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 71.13 111.037 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 91.19 12.66 59.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 72.02 112.65 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.414 HG21 ' HB3' ' A' ' 111' ' ' MET . 11.2 pt -112.3 151.59 43.85 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 55.32 111.379 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.55 160.34 50.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.54 2.16 . . . . 61.25 112.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -124.9 118.93 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.752 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 1.045 HD11 HG21 ' A' ' 158' ' ' THR . 3.1 mp -121.9 160.33 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 74.21 111.031 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.48 ' N ' HG22 ' A' ' 142' ' ' ILE . 26.4 mt-10 -120.08 133.12 55.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 64.24 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.1 p -145.54 171.37 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 62.42 111.109 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.18 117.18 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 74.31 110.702 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.475 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.45 -23.36 66.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.466 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -66.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 73.05 111.2 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.3 p -80.95 -13.91 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.3 111.574 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 152' ' ' VAL . 1.4 ttt-85 62.59 57.3 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 71.51 110.613 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -108.35 130.06 55.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 70.34 110.911 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.525 ' O ' HG22 ' A' ' 144' ' ' THR . . . 58.14 21.38 46.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.793 -0.718 . . . . 64.31 112.814 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.49 HG21 ' HG3' ' A' ' 149' ' ' ARG . 25.8 t -57.58 -58.9 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 64.34 111.031 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -62.98 -31.3 72.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.769 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -54.03 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.34 111.013 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -60.78 -48.08 83.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 71.22 111.003 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.629 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 20.4 m-85 -57.71 -51.61 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 64.13 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.56 -25.68 60.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 72.22 111.12 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 1.045 HG21 HD11 ' A' ' 142' ' ' ILE . 2.0 m -57.12 -50.19 73.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 65.5 111.196 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.031 HD23 HD13 ' A' ' 6' ' ' LEU . 19.1 tp -59.01 -34.38 71.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 65.52 111.028 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.636 HG11 HG21 ' A' ' 46' ' ' ILE . 53.3 t -56.4 -50.2 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.35 . . . . 43.32 111.013 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.95 -28.74 69.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.881 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -71.8 -50.72 27.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 71.34 111.079 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.401 HD11 ' HG ' ' A' ' 159' ' ' LEU . 68.1 mt -60.15 -36.41 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.274 -0.421 . . . . 74.25 111.189 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -65.47 -21.64 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 74.41 111.143 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -95.87 26.22 4.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.824 0.345 . . . . 61.34 111.156 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.223 -0.894 . . . . 64.34 110.925 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.624 " H2'" " O5'" ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 0.623 ' O3A' ' HB3' ' A' ' 67' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.879 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.039 0.447 . . . . 72.42 111.34 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.402 HG21 ' CZ ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -77.8 146.69 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.737 -0.665 . . . . 73.35 110.819 -179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -98.11 126.47 43.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.661 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.402 ' CZ ' HG21 ' A' ' 2' ' ' THR . 33.7 m-85 -118.96 125.07 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.114 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.38 106.36 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.673 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.773 HD22 HD13 ' A' ' 159' ' ' LEU . 41.0 mt -97.49 108.51 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.053 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.19 102.23 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.45 110.952 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.2 t -83.61 139.62 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 63.25 111.192 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 81' ' ' VAL . 19.3 m -137.93 157.02 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 74.02 110.938 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.89 176.99 47.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.635 -0.793 . . . . 24.13 112.585 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.17 25.0 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 75.41 111.228 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -78.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.66 -0.781 . . . . 74.23 112.55 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.52 -23.71 36.34 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.83 -0.7 . . . . 62.5 112.735 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG12 ' HB2' ' A' ' 89' ' ' SER . 16.1 m -53.74 -39.11 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.792 0.33 . . . . 61.34 111.322 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.39 50.87 1.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 73.11 112.611 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 302' ' ' HOH . 2.1 pttt -77.16 -30.56 55.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 73.54 110.884 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -32.44 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.887 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HB1' ' CB ' ' A' ' 146' ' ' ALA . . . -53.8 -53.02 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 62.44 111.219 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 HG13 ' A' ' 152' ' ' VAL . 38.5 mt -62.56 -38.11 88.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.836 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.724 HG23 ' CG2' ' A' ' 55' ' ' ILE . 91.9 m -62.93 -58.21 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.817 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.52 -29.32 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.181 -0.463 . . . . 63.03 110.793 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -71.23 -44.51 65.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 60.13 110.751 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 156' ' ' PHE . 1.3 tt -76.79 -4.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.413 HG21 ' CD2' ' A' ' 40' ' ' TYR . 26.2 mm -118.1 -69.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.803 0.335 . . . . 75.13 111.221 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 2.8 mp0 -79.35 -30.92 42.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.34 111.102 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m120 73.1 66.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 65.12 111.306 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 5.9 p80 -177.11 155.31 1.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.759 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 0.6 OUTLIER -58.79 128.62 38.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 71.22 110.916 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG23 ' HA ' ' A' ' 18' ' ' ALA . 12.5 t -54.44 148.09 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.967 0.413 . . . . 75.41 111.124 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' VAL . 19.2 t70 175.19 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.732 -0.667 . . . . 72.01 110.404 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.07 75.73 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.779 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -140.97 168.24 20.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.875 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' HB3' HG21 ' A' ' 36' ' ' ILE . 4.7 m-20 -102.13 149.53 36.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.974 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.86 111.97 3.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.602 2.202 . . . . 60.03 112.33 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 m 55.79 89.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 51.42 110.996 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 33' ' ' ASP . 2.7 pp -147.32 179.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.54 -104.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 74.25 110.688 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 45.45 49.33 10.62 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.934 0.397 . . . . 73.21 111.044 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.5 p -53.92 147.79 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 73.22 111.048 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' HG21 ' A' ' 24' ' ' ILE . 5.8 m-85 -87.01 164.18 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 64.13 110.906 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -143.16 106.42 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.837 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -112.36 145.89 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.964 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -104.88 132.08 51.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 70.25 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.73 174.93 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.121 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.66 100.8 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.768 ' CD1' HG21 ' A' ' 160' ' ' VAL . 36.5 mt -114.66 138.44 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.021 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t0 63.6 17.69 10.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 53.15 111.23 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.15 40.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 63.13 112.858 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -102.21 155.17 18.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.2 111.1 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.0 m -92.12 131.44 37.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.702 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.8 m -146.8 146.64 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 63.31 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.879 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.4 OUTLIER -78.96 146.96 33.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.643 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.4 mt -118.33 109.02 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 72.15 110.84 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.46 90.79 3.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.151 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.724 ' CG2' HG23 ' A' ' 20' ' ' THR . 1.6 mp -79.87 116.09 23.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 62.45 110.718 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.923 HD21 ' CD1' ' A' ' 71' ' ' TYR . 16.6 tp -83.15 126.77 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.034 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -112.14 78.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 61.52 110.931 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.406 HG23 ' HG ' ' A' ' 56' ' ' LEU . 13.8 p -80.42 -173.76 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 53.4 110.937 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.56 162.68 13.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 55.42 111.344 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.13 -49.2 60.39 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.953 -0.642 . . . . 60.34 112.535 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -166.12 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 72.24 110.69 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 51.03 27.94 3.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 73.02 111.356 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 56.67 32.08 20.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 74.21 110.9 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE2' ' HG2' ' A' ' 67' ' ' MET . 0.0 OUTLIER -95.33 39.17 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 75.11 110.979 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 p -58.96 -29.09 66.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 40.53 110.18 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.06 77.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.842 -0.617 . . . . 71.4 110.764 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.888 ' HA ' ' HAC' ' A' ' 203' ' ' KOB . 0.0 OUTLIER -84.11 -42.16 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.6 -0.727 . . . . 75.34 110.8 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -54.59 -44.72 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.57 . . . . 74.23 111.326 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.84 -31.06 71.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 72.35 111.133 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.697 ' HG2' ' H5 ' ' A' ' 203' ' ' KOB . 13.2 tp60 -75.5 -37.22 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.35 111.176 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.923 ' CD1' HD21 ' A' ' 56' ' ' LEU . 25.6 m-85 -59.0 -37.44 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.374 -0.375 . . . . 74.33 111.154 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.625 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.4 mtt -67.86 -35.81 79.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 63.2 110.305 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -81.48 -15.21 55.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.648 . . . . 75.02 111.236 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 70' ' ' GLN . 58.6 p -104.72 -5.33 21.4 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.456 -0.338 . . . . 72.53 111.577 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.46 160.64 13.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.442 -0.885 . . . . 72.41 112.995 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -103.75 -15.59 15.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.669 0.271 . . . . 70.41 111.071 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.11 174.11 28.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 30.32 112.526 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 72' ' ' MET . 63.6 m-85 -143.83 136.37 27.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 75.31 111.077 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -118.05 116.62 27.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 72.24 110.754 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' HD12 ' A' ' 93' ' ' ILE . 1.3 m -97.49 123.41 41.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 63.21 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 ' O ' HD11 ' A' ' 93' ' ' ILE . 22.6 m -105.21 131.19 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.35 110.987 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -128.11 128.82 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.765 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.9 123.72 34.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 74.34 110.96 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.809 HD12 ' CB ' ' A' ' 123' ' ' ARG . 1.7 pt -64.74 -22.04 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 42.2 111.204 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.88 8.1 30.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 64.43 111.245 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -138.38 107.39 6.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.836 0.35 . . . . 62.51 110.919 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.448 ' HA ' HG21 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -61.45 -30.71 70.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.21 110.831 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -67.07 -39.0 86.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.857 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.579 ' HB2' HG12 ' A' ' 14' ' ' VAL . 64.6 p -59.12 -40.37 85.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 60.33 110.667 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 130' ' ' ALA . 11.8 t80 -63.43 -37.95 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.741 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.92 -26.67 54.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 73.3 111.026 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -70.54 -33.78 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 73.42 110.981 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.828 HD12 ' HB3' ' A' ' 80' ' ' CYS . 23.3 mm -60.7 -30.46 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 62.4 110.863 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.97 -55.43 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.854 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.54 -31.44 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.051 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' ASP . 2.6 m-85 -61.05 -48.13 83.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 74.25 110.888 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -58.91 -35.34 72.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.972 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.98 -27.02 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 61.04 111.008 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 72' ' ' MET . 2.7 tp60 -77.35 -34.9 55.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.498 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' HE1' ' A' ' 111' ' ' MET . 59.9 mt -68.9 -46.54 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.011 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -59.24 -26.74 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 71.45 110.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -67.47 -58.9 3.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 73.43 110.975 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.625 HG11 ' HB2' ' A' ' 72' ' ' MET . 22.0 t -61.37 -54.72 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 70.22 111.14 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.55 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.7 47.91 2.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 75.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.4 152.79 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 73.33 110.817 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -90.64 -36.13 14.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 70.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -91.16 82.11 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.42 110.933 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.6 m -114.04 151.95 45.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 74.1 111.026 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.16 104.23 1.35 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.568 2.179 . . . . 74.03 112.428 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.72 ' HG3' HG21 ' A' ' 139' ' ' ILE . 11.3 ptp -152.88 168.19 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.843 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 140' ' ' PRO . 39.0 t -143.04 149.74 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.15 111.209 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 134' ' ' ALA . 5.6 tp -107.76 107.05 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.84 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.863 HG21 HD21 ' A' ' 79' ' ' LEU . 19.9 t -101.23 139.15 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 61.11 111.264 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.99 97.49 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.764 -0.731 . . . . 64.11 112.477 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -76.56 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 75.55 110.95 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 120' ' ' LEU . 8.4 mtpt 62.4 69.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 65.34 110.901 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 16.3 t -108.45 -22.26 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.52 111.099 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.13 -24.97 32.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 74.43 111.181 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 117' ' ' LYS . 11.9 mt -50.59 161.99 0.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.818 0.342 . . . . 74.3 111.057 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.63 29.87 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 64.32 111.304 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -144.36 57.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 73.25 111.192 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.809 ' CB ' HD12 ' A' ' 84' ' ' ILE . 8.1 ptp85 -83.52 138.3 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 63.23 111.049 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.1 p -106.28 -48.73 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 55.44 110.769 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 87' ' ' THR . 58.2 t -100.21 104.46 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.963 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.6 155.4 12.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.945 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.9 m -57.0 -29.8 63.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 63.15 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -58.77 -39.94 82.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 60.43 110.844 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.29 -34.71 77.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.911 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.437 ' HB2' ' CE2' ' A' ' 82' ' ' PHE . . . -79.86 -35.69 37.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 35.13 111.085 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -41.78 85.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.958 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.57 -42.79 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.702 HD21 ' CZ ' ' A' ' 137' ' ' TYR . 1.2 tm? -66.95 -51.96 48.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.307 -0.406 . . . . 72.45 111.19 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -61.32 -41.08 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.452 . . . . 63.42 110.906 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -61.91 -23.85 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 70.31 110.97 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 p -76.62 -35.79 57.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.371 . . . . 54.2 110.803 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.702 ' CZ ' HD21 ' A' ' 133' ' ' LEU . 22.8 m-85 -76.66 -21.6 55.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.55 111.113 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.09 14.67 62.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.768 . . . . 61.35 112.601 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.72 HG21 ' HG3' ' A' ' 111' ' ' MET . 21.0 pt -108.33 151.01 41.29 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.721 0.296 . . . . 65.32 111.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.489 ' HG2' HG13 ' A' ' 112' ' ' VAL . 34.1 Cg_endo -65.05 151.51 85.5 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.602 2.202 . . . . 74.14 112.433 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -123.26 106.5 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 52.24 110.508 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.655 HD11 HG21 ' A' ' 158' ' ' THR . 4.7 mp -108.07 144.2 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.016 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.11 131.99 54.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 63.54 111.011 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 151' ' ' GLY . 33.6 p -142.26 174.63 10.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 61.41 110.957 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.48 124.72 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.862 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.761 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . . . -79.26 -2.39 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.55 111.582 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -95.02 -29.3 14.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.319 . . . . 70.14 110.986 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 3.0 p -122.42 1.35 9.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 61.13 111.571 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 152' ' ' VAL . 28.5 ttt180 49.35 67.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.901 0.382 . . . . 64.34 111.135 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.33 117.43 29.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 63.01 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.464 ' O ' HG22 ' A' ' 144' ' ' THR . . . 56.24 20.83 30.35 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.861 -0.685 . . . . 42.12 112.941 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.49 HG13 HD22 ' A' ' 19' ' ' LEU . 19.9 t -54.52 -55.54 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.833 0.349 . . . . 73.11 111.297 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 mp0 -66.43 -27.6 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.814 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.1 -56.54 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.907 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.856 ' HB1' HG22 ' A' ' 114' ' ' VAL . . . -56.17 -35.54 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 71.42 111.158 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 23' ' ' LEU . 3.2 m-85 -70.71 -50.89 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.843 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 17.0 m-85 -53.94 -27.56 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.547 . . . . 72.44 111.153 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 142' ' ' ILE . 9.5 m -56.84 -43.16 80.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 55.34 111.13 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.773 HD13 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -55.73 -32.27 63.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 72.14 110.799 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.768 HG21 ' CD1' ' A' ' 46' ' ' ILE . 25.4 t -59.95 -53.72 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 72.32 110.986 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -63.02 -31.38 72.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.782 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.48 -47.18 57.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.709 HD11 HD22 ' A' ' 159' ' ' LEU . 42.4 mt -66.7 -34.96 73.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.25 111.137 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.3 mtm-85 -51.32 -29.9 16.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.058 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -108.17 -35.35 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.915 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.257 -0.877 . . . . 44.32 110.92 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.632 ' N3B' ' O1A' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 0.888 ' HAC' ' HA ' ' A' ' 67' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.412 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.581 ' HG3' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.029 0.443 . . . . 75.41 111.344 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.27 144.92 23.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.772 -0.649 . . . . 65.53 110.635 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -109.14 115.42 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.935 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.547 ' HB2' HD23 ' A' ' 53' ' ' LEU . 44.3 m-85 -101.18 99.08 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.864 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -86.63 98.27 11.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.883 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 55' ' ' ILE . 11.7 mt -84.3 130.49 34.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.247 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.523 HG23 ' HA3' ' A' ' 75' ' ' GLY . 71.4 t -103.57 102.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 72.2 110.834 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.5 138.65 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 63.21 111.001 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.92 151.13 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 64.22 110.949 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.19 156.26 22.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.664 -0.779 . . . . 54.33 112.625 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -19.45 50.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.261 . . . . 70.31 111.609 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.87 -69.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 65.33 112.086 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.425 ' HA2' ' O1B' ' A' ' 201' ' ' GNP . . . -75.5 -5.9 79.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 62.32 112.452 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.562 HG12 ' CB ' ' A' ' 89' ' ' SER . 26.9 m -54.67 -29.99 21.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.752 0.31 . . . . 71.22 111.42 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.84 26.85 11.0 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.549 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -65.5 -23.05 66.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 52.32 111.106 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -80.38 -42.83 22.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 40.34 111.064 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' CB ' ' HB1' ' A' ' 146' ' ' ALA . . . -53.09 -46.48 68.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 75.13 111.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD22 HG12 ' A' ' 152' ' ' VAL . 67.9 mt -60.74 -34.65 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.41 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.879 HG23 HG21 ' A' ' 55' ' ' ILE . 74.0 m -70.33 -50.62 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.835 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 27' ' ' HIS . 44.7 mm -60.95 -42.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 62.21 111.01 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -57.59 -44.21 85.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 61.04 110.764 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.8 tp -70.14 -59.11 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 52.33 110.608 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.51 -59.09 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 64.04 110.924 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -90.25 -90.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 72.43 110.758 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.55 -34.53 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.723 0.297 . . . . 74.34 111.22 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.585 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -81.8 176.16 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.021 0.438 . . . . 71.11 111.482 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 29' ' ' VAL . 47.2 t80 -70.29 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 72.32 111.124 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -175.96 130.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.763 0.316 . . . . 61.43 110.746 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 177.28 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 64.33 110.611 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.65 66.08 8.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 71.25 110.963 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.08 133.2 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.805 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 145.91 98.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 51.34 110.594 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.11 -25.25 19.42 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.494 2.129 . . . . 71.1 112.49 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -92.37 -35.57 13.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 30.12 111.087 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD13 ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -59.03 148.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 51.31 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' N ' HD13 ' A' ' 36' ' ' ILE . 3.4 mm-40 -79.58 -177.97 6.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.945 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -116.99 47.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 54.33 110.846 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 p -105.66 125.11 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.43 110.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' OH ' HD11 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -144.82 134.42 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.678 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -115.16 123.35 48.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -121.36 148.75 43.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.43 110.943 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -101.34 126.09 48.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.824 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.64 174.71 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 64.04 111.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.27 100.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 62.15 110.922 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.791 ' CD1' HG21 ' A' ' 160' ' ' VAL . 43.8 mt -119.62 131.6 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 53.52 111.082 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 65.22 34.31 8.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.52 31.81 67.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.779 -0.724 . . . . 44.41 112.524 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.49 109.15 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.54 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -59.69 124.01 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.859 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 90.0 m -147.44 152.19 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.43 143.61 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.807 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 4' ' ' TYR . 72.8 mt -117.52 79.4 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 53.13 110.767 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.82 97.61 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.0 110.999 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 20' ' ' THR . 43.1 mm -79.04 122.04 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 65.35 110.988 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.2 tm? -114.43 101.41 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.899 -0.591 . . . . 72.42 110.847 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.71 108.76 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 54.5 110.781 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 71' ' ' TYR . 12.0 p -75.22 171.49 14.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.844 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 155.68 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.33 111.182 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -110.61 -24.52 5.55 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.375 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -102.49 -31.86 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 74.11 110.843 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.44 179.7 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.874 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -103.43 -79.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 64.1 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' CE1' ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER 52.52 35.74 18.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.253 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 p -58.16 -36.41 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 62.51 110.717 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.34 -52.28 65.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.081 -0.509 . . . . 62.33 110.748 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.631 ' HE2' ' H4 ' ' A' ' 203' ' ' KOB . 14.3 mtp -78.86 -22.16 46.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.821 -0.627 . . . . 73.13 110.855 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -52.57 -25.61 11.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.296 -0.411 . . . . 71.44 110.984 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.29 -36.78 39.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 73.52 111.11 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.711 ' OE1' HG21 ' A' ' 74' ' ' THR . 0.0 OUTLIER -57.16 -41.93 80.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.374 . . . . 75.25 110.76 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE2' HG22 ' A' ' 58' ' ' THR . 17.2 m-85 -52.86 -50.54 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 74.15 111.606 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.69 ' HB2' HG11 ' A' ' 103' ' ' VAL . 1.5 mtt -55.96 -34.95 66.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.421 . . . . 72.51 110.394 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 33.3 mtm180 -81.44 -17.73 47.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.875 -0.602 . . . . 61.34 111.492 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.711 HG21 ' OE1' ' A' ' 70' ' ' GLN . 81.8 p -98.32 -11.02 22.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.698 0.285 . . . . 75.31 110.98 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -100.73 155.06 19.32 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.52 -0.848 . . . . 54.13 113.692 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -96.33 -18.93 19.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.797 0.332 . . . . 74.45 110.566 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.3 -165.83 12.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.967 -0.635 . . . . 61.41 112.12 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 100' ' ' ILE . 89.2 m-85 -155.23 140.42 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 74.01 111.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD12 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -124.02 121.9 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 73.54 110.756 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.863 ' HB3' HD12 ' A' ' 93' ' ' ILE . 13.4 m -97.29 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.85 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.2 t -102.81 112.96 38.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.172 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' HD1' HD11 ' A' ' 113' ' ' LEU . 5.9 p90 -125.6 144.16 50.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.614 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.575 ' HB1' ' HD3' ' A' ' 117' ' ' LYS . . . -87.33 123.64 32.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.312 -0.403 . . . . 73.53 110.947 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 123' ' ' ARG . 8.1 pt -59.92 -31.17 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.855 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' OD1' ' HB3' ' A' ' 122' ' ' ALA . 1.3 t30 -71.39 -29.15 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 63.1 110.812 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -106.5 109.27 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.793 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -67.44 -25.36 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.174 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -41.54 97.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.444 -0.344 . . . . 64.14 110.678 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.562 ' CB ' HG12 ' A' ' 14' ' ' VAL . 83.6 p -61.32 -28.9 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.12 -45.09 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.15 110.895 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.44 -29.89 71.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 53.45 111.082 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 0.5 OUTLIER -67.09 -32.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 60.11 110.909 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 80' ' ' CYS . 22.7 mm -61.84 -28.94 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 41.04 110.922 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.62 -55.36 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.03 110.695 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -67.07 -28.46 68.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 55.32 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 92' ' ' ASP . 2.3 m-85 -63.45 -49.66 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 64.52 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -57.1 -35.96 70.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.959 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -37.82 81.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.85 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -37.25 85.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.837 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 78' ' ' PHE . 47.4 mt -69.46 -44.05 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 75.54 111.024 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.12 -30.46 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 75.34 110.84 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -58.94 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 65.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 72' ' ' MET . 39.4 t -58.69 -58.2 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 72.24 110.876 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -59.24 -24.92 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.684 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.5 t0 62.06 37.42 14.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.802 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -164.14 157.45 18.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 44.2 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -85.79 -42.56 14.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.654 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.86 92.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 65.14 110.644 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 110' ' ' PRO . 48.3 t -128.5 136.39 29.03 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 54.35 110.782 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 109' ' ' VAL . 63.2 Cg_endo -74.73 101.04 1.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.902 2.402 . . . . 73.04 112.471 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -145.83 168.15 21.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.11 110.886 179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.633 HG13 ' HG2' ' A' ' 140' ' ' PRO . 23.1 t -143.19 151.08 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 70.21 111.071 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 80' ' ' CYS . 8.1 tp -110.43 127.28 55.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 64.5 110.964 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.674 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 27.0 t -120.47 137.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.04 111.082 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.57 78.88 0.33 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.717 -0.754 . . . . 65.23 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 19' ' ' LEU . 6.3 t-20 -52.71 170.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.823 0.344 . . . . 74.31 110.966 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.575 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 17.1 mtpt 61.98 49.7 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.896 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.8 t -87.47 5.84 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 52.14 111.411 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -110.05 -17.91 13.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.708 0.289 . . . . 73.04 111.1 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 117' ' ' LYS . 3.4 mm? -53.62 173.01 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.403 -0.362 . . . . 74.01 111.001 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.35 41.27 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 61.23 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' HB3' ' OD1' ' A' ' 85' ' ' ASN . . . -166.78 64.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.983 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.781 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -72.03 84.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 55.34 111.013 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.2 p -60.52 -28.14 68.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 55.52 110.724 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.37 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.64 165.45 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.0 m -57.5 -25.19 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 75.11 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -62.47 -56.51 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 63.51 110.934 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -59.26 -39.14 81.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.04 111.071 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.433 ' HB1' ' CZ ' ' A' ' 141' ' ' TYR . . . -66.92 -37.12 83.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.266 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -29.91 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.054 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -53.18 -45.5 68.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.395 . . . . 72.13 111.027 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.459 HD22 ' CZ ' ' A' ' 137' ' ' TYR . 20.4 mt -74.09 -48.79 27.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.168 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -56.77 -39.13 73.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 63.33 111.063 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -73.69 -44.25 57.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 64.4 110.856 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.6 t -64.08 -37.21 86.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.805 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-85 -84.33 -21.55 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.072 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.38 18.15 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 60.31 112.591 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.749 HG21 ' HG2' ' A' ' 111' ' ' MET . 8.0 pt -106.29 156.77 36.34 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.802 0.334 . . . . 75.24 111.46 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.633 ' HG2' HG13 ' A' ' 112' ' ' VAL . 62.1 Cg_endo -73.71 148.84 42.27 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.616 2.211 . . . . 73.51 112.206 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.433 ' CZ ' ' HB1' ' A' ' 130' ' ' ALA . 13.9 t80 -124.76 124.78 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 74.42 111.015 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.78 HD11 HG21 ' A' ' 158' ' ' THR . 4.3 mp -125.11 155.8 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.829 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -115.67 129.76 56.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 72.01 110.856 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 151' ' ' GLY . 11.7 p -143.97 165.64 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 70.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.73 123.75 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 72.5 110.735 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.895 ' HB3' ' O6 ' ' A' ' 201' ' ' GNP . . . -74.03 -25.47 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 60.24 111.263 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -77.8 -51.28 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 72.22 111.111 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 p -88.08 -20.35 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.311 -0.404 . . . . 34.2 111.436 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 63.34 61.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.409 . . . . 64.22 110.596 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -119.76 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 71.45 110.95 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' THR . . . 70.61 8.84 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.847 -0.692 . . . . 71.22 112.906 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.624 HG12 HD22 ' A' ' 19' ' ' LEU . 20.8 m -57.42 -40.4 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.361 . . . . 65.1 111.162 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 157' ' ' TYR . 7.4 mt-10 -73.69 -31.69 63.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.827 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.01 -34.77 76.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.836 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.674 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -73.88 -40.44 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 51.31 111.1 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -69.03 -49.6 56.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 73.43 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 m-85 -56.64 -28.8 61.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.45 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 142' ' ' ILE . 99.0 m -59.01 -43.27 91.52 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.274 -0.421 . . . . 43.23 110.612 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.614 ' CD2' HD22 ' A' ' 6' ' ' LEU . 35.5 tp -58.94 -44.23 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.515 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 46' ' ' ILE . 48.6 t -51.29 -46.95 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.198 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -31.97 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 63.43 110.8 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.93 -51.71 30.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.111 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 110' ' ' PRO . 32.0 mt -56.74 -45.38 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-N 116.349 -0.387 . . . . 72.42 111.01 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -26.42 66.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.167 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -95.49 26.13 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.326 -0.397 . . . . 61.42 111.198 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 73.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.895 ' O6 ' ' HB3' ' A' ' 146' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.299 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.473 ' O ' ' O1G' ' A' ' 201' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 71.23 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.82 149.78 21.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.822 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.83 110.45 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 65.53 110.842 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -97.88 116.02 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.962 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HB3' ' HA2' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -90.7 92.17 8.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 73.4 110.763 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.694 HD12 HD13 ' A' ' 55' ' ' ILE . 20.2 mt -91.97 134.55 34.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.152 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' HA3' ' A' ' 75' ' ' GLY . 60.6 t -109.67 105.3 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.88 140.26 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 71.33 110.87 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.2 m -141.02 137.6 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 55.14 111.206 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' HA3' HG21 ' A' ' 14' ' ' VAL . . . -174.5 154.55 19.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.408 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -56.49 175.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 74.13 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 -44.41 92.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 61.4 112.422 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.44 54.18 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.423 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 11' ' ' ALA . 33.2 m -117.07 -39.39 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 60.3 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.25 47.31 5.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 63.34 112.695 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 302' ' ' HOH . 15.0 pttt -73.62 -33.24 64.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 65.33 110.731 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 p -71.36 -31.9 67.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 72.01 111.011 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 146' ' ' ALA . . . -58.78 -63.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.258 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.51 -24.71 33.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 54.04 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.1 m -67.1 -43.88 81.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 71.21 111.186 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.543 HD13 ' CG2' ' A' ' 29' ' ' VAL . 1.5 mp -71.65 -30.4 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 75.32 110.924 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HB2' HG11 ' A' ' 152' ' ' VAL . 69.8 mm-40 -56.22 -39.96 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.365 -0.379 . . . . 64.12 110.884 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.8 -35.44 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.071 -0.513 . . . . 75.11 110.963 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.17 -69.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 60.34 111.406 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 59.2 mt-30 -96.0 -97.95 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.063 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 2.6 m-20 165.41 43.78 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.866 0.365 . . . . 74.44 110.74 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -149.5 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.365 . . . . 61.52 111.071 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CE1' " O2'" ' A' ' 201' ' ' GNP . 3.1 t80 -98.32 133.58 42.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.54 . . . . 74.42 110.853 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.543 ' CG2' HD13 ' A' ' 21' ' ' ILE . 22.6 t -59.94 146.32 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.027 0.442 . . . . 72.45 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.9 t70 178.36 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.72 -0.673 . . . . 72.12 110.455 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -105.04 93.48 4.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 74.03 110.718 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -146.53 164.52 32.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.853 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.4 128.3 25.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 73.11 110.884 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.77 -25.37 23.98 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.442 2.094 . . . . 74.33 112.312 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -28.48 63.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 63.13 111.018 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 38' ' ' ASP . 1.4 pt -108.28 152.14 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 74.41 111.249 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -22.4 37.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.776 -0.647 . . . . 73.14 111.36 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 36' ' ' ILE . 2.3 t0 61.59 41.18 12.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.954 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 p -94.27 163.26 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.826 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -147.12 149.64 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.855 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.74 117.65 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.857 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -113.69 150.09 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.981 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.36 135.71 41.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.41 110.843 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 46' ' ' ILE . 34.3 m -147.41 174.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 65.23 111.155 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.1 106.54 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.991 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.823 ' CD1' HG21 ' A' ' 160' ' ' VAL . 51.0 mt -127.15 124.3 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 64.4 111.138 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.68 39.05 11.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 55.11 110.923 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.03 28.67 61.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 72.31 112.538 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -146.27 104.44 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 75.54 110.882 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.7 m -58.96 128.86 39.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.829 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 95.9 m -145.22 152.11 39.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 62.03 110.992 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.52 136.83 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 71.13 110.876 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.3 mt -106.69 79.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 75.33 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.56 93.58 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.52 110.816 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD13 HD12 ' A' ' 6' ' ' LEU . 17.3 mm -84.25 110.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.143 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 57' ' ' ASP . 1.1 tt -83.52 123.75 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 64.03 110.911 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' N ' HD23 ' A' ' 56' ' ' LEU . 29.6 t70 -100.81 100.04 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.12 110.907 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -85.1 -175.8 5.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.47 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.13 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.8 -41.49 8.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 73.33 112.472 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -160.04 86.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.34 110.924 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.34 -173.93 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.869 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.75 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.42 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.471 ' CD1' ' CG ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -93.2 -77.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.848 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.54 -62.84 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.539 . . . . 72.51 111.238 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.67 -30.03 3.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 71.41 111.358 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.512 ' HE2' ' N3 ' ' A' ' 203' ' ' KOB . 1.0 OUTLIER -83.8 -28.14 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.924 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -36.8 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 72.53 110.724 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -33.22 58.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 63.45 110.614 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.816 ' O ' HG23 ' A' ' 74' ' ' THR . 2.4 tp60 -68.87 -39.39 79.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 74.03 110.702 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -58.42 -36.73 74.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.741 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.807 ' HB2' HG11 ' A' ' 103' ' ' VAL . 0.1 OUTLIER -63.97 -48.22 77.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 62.14 110.075 179.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' HG2' ' CG1' ' A' ' 103' ' ' VAL . 47.1 mtm180 -67.89 -12.0 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.616 . . . . 73.33 111.191 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 70' ' ' GLN . 69.6 p -99.25 -11.77 20.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.67 0.272 . . . . 73.24 110.93 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.661 ' HA3' HG23 ' A' ' 7' ' ' VAL . . . -110.36 148.57 17.54 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.605 -0.807 . . . . 72.0 113.254 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 110' ' ' PRO . 4.1 mt-10 -89.89 -21.67 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 74.21 110.633 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.64 -174.3 13.9 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.039 -0.6 . . . . 75.23 112.138 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 100' ' ' ILE . 94.6 m-85 -150.55 134.85 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 72.12 111.021 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.004 HD12 HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -116.41 108.83 16.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.03 110.945 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.804 ' HB3' HD12 ' A' ' 93' ' ' ILE . 3.1 m -88.82 128.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.684 ' O ' HD11 ' A' ' 93' ' ' ILE . 32.7 m -116.15 133.85 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 55.34 111.056 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -135.99 130.22 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.21 123.75 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.42 111.103 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.802 HD12 ' HB3' ' A' ' 123' ' ' ARG . 7.8 pt -60.17 -31.37 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.995 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -71.35 -25.91 62.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.546 . . . . 70.01 110.928 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -114.62 99.69 7.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 73.35 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.588 HG23 HG22 ' A' ' 125' ' ' VAL . 3.0 m -58.41 -27.71 64.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.004 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -57.49 -45.11 85.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.842 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.437 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.7 m -57.65 -36.88 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 55.44 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.94 -36.97 78.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.821 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.81 -28.89 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.35 110.952 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -70.69 -32.84 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.995 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 80' ' ' CYS . 21.4 mm -61.07 -29.65 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.756 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.86 -55.43 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 65.55 110.61 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.46 -28.81 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.997 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.07 -41.66 88.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 70.32 110.836 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -63.57 -36.55 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.11 110.934 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -57.25 -41.21 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.009 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -37.64 82.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 78' ' ' PHE . 52.2 mt -70.04 -49.74 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 71.03 111.09 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -35.46 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 75.1 110.949 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -58.02 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.855 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 72' ' ' MET . 54.5 t -58.05 -59.18 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.023 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -25.71 67.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 71.42 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t70 63.58 43.5 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 63.42 110.803 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -174.3 154.29 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.94 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -34.49 29.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 54.14 110.756 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -75.43 98.48 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 60.31 110.716 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 110' ' ' PRO . 58.9 t -139.57 136.9 18.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.887 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.521 ' HD2' HG13 ' A' ' 109' ' ' VAL . 57.2 Cg_endo -71.89 101.13 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.784 2.322 . . . . 54.43 112.128 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.627 ' HG3' HG21 ' A' ' 139' ' ' ILE . 15.5 ptp -145.39 168.73 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 159' ' ' LEU . 48.3 t -145.31 145.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.524 . . . . 75.05 111.058 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' A' ' 134' ' ' ALA . 8.0 tp -108.9 107.85 18.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 62.45 110.928 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.697 ' CG2' ' HB1' ' A' ' 155' ' ' ALA . 21.5 t -100.34 150.5 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 64.0 111.182 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.99 100.2 1.02 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 73.23 112.429 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -76.71 168.57 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 74.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mttp 60.56 64.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.4 110.971 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.26 -15.11 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 62.42 111.164 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -88.85 -25.91 21.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.299 . . . . 71.45 111.134 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 120' ' ' LEU . 21.1 mt -53.02 150.91 5.16 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 50.21 111.08 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.1 31.04 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.35 111.154 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.02 70.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 72.11 111.114 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.802 ' HB3' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -82.99 84.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.845 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.8 p -56.51 -34.81 67.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 87' ' ' THR . 99.5 t -110.47 124.11 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.5 162.4 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 71.43 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.6 t -70.33 -38.47 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 111.009 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -55.75 -46.09 77.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.958 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.439 HE21 HG13 ' A' ' 125' ' ' VAL . 8.6 tt0 -63.31 -38.32 90.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.942 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.8 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 73.23 111.096 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.427 ' HG2' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -68.61 -31.02 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.03 110.871 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.21 -43.68 87.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.74 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.568 HD11 ' OH ' ' A' ' 137' ' ' TYR . 15.6 tp -72.73 -48.72 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.43 110.706 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.433 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -57.11 -39.91 76.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 64.33 111.079 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -64.84 -29.82 70.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.941 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -72.75 -35.29 67.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.584 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.568 ' OH ' HD11 ' A' ' 133' ' ' LEU . 20.2 m-85 -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.985 -0.552 . . . . 73.4 111.019 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 83.9 17.6 65.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.717 -0.754 . . . . 60.22 112.544 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.627 HG21 ' HG3' ' A' ' 111' ' ' MET . 5.2 pt -112.52 156.86 41.66 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.807 0.337 . . . . 72.1 111.399 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HG2' HG13 ' A' ' 112' ' ' VAL . 52.7 Cg_endo -70.04 157.04 61.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.608 2.205 . . . . 72.35 112.436 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.427 ' CD2' ' HG2' ' A' ' 131' ' ' GLN . 80.8 t80 -129.19 116.88 19.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.524 . . . . 75.51 110.548 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.942 HD11 HG21 ' A' ' 158' ' ' THR . 2.9 mp -119.94 156.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.195 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.439 ' N ' HG22 ' A' ' 142' ' ' ILE . 15.0 mt-10 -114.41 134.05 55.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.868 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 151' ' ' GLY . 30.7 p -144.14 166.86 23.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 73.25 111.05 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 p -137.72 113.53 9.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.845 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.573 ' HB1' ' HB1' ' A' ' 18' ' ' ALA . . . -65.79 -23.7 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.402 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 74.21 111.135 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.72 -20.0 61.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 63.24 111.292 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 66.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 73.3 110.787 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.85 125.2 50.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 65.31 110.829 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 144' ' ' THR . . . 54.55 23.35 27.69 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.697 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.417 HG11 ' HB2' ' A' ' 22' ' ' GLN . 23.9 t -57.73 -55.9 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 65.34 111.052 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.7 -25.95 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 70.32 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.65 -50.6 72.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 71.44 110.851 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' A' ' 114' ' ' VAL . . . -59.21 -47.29 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.45 110.923 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE1' HD12 ' A' ' 55' ' ' ILE . 26.3 m-85 -58.04 -50.48 73.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.779 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -54.05 -33.98 58.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 63.34 110.949 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.942 HG21 HD11 ' A' ' 142' ' ' ILE . 5.0 m -58.04 -42.84 86.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 1.004 HD23 HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -53.95 -43.52 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.924 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 46' ' ' ILE . 38.7 t -53.88 -55.9 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 70.51 111.145 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -52.77 -40.44 63.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.084 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.41 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.401 HG12 ' HB2' ' A' ' 110' ' ' PRO . 27.4 mt -65.32 -44.62 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.242 -0.435 . . . . 73.31 111.196 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -49.91 56.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.354 -0.384 . . . . 74.42 111.084 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -78.44 -27.34 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.942 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.236 -0.888 . . . . 74.32 110.815 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' GNP . . . . . 0.419 " O2'" ' CE1' ' A' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' KOB . . . . . 1.388 ' S7 ' ' HD2' ' A' ' 203' ' ' KOB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.424 ' O ' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_